Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

ZUD

Summary
Name:Udenafil
Synonyms:(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide
Formula:C25 H36 N6 O4 S
Formal charge:0
Formula weight:516.656 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide
OpenEye OEToolkits2.0.73-(1-methyl-7-oxidanylidene-3-propyl-4~{H}-pyrazolo[4,3-d]pyrimidin-5-yl)-~{N}-[2-[(2~{R})-1-methylpyrrolidin-2-yl]ethyl]-4-propoxy-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN1CCCC1CCNS(=O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c(OCCC)cc1
InChIInChI1.06InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/t17-/m1/s1
InChIKeyInChI1.06IYFNEFQTYQPVOC-QGZVFWFLSA-N
SMILES_CANONICALCACTVS3.385CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[C@H]4CCCN4C
SMILESCACTVS3.385CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[CH]4CCCN4C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCc1c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(=O)(=O)NCC[C@H]4CCCN4C
SMILESOpenEye OEToolkits2.0.7CCCc1c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(=O)(=O)NCCC4CCCN4C

227344

數據於2024-11-13公開中

PDB statisticsPDBj update infoContact PDBjnumon