Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

MOY

Summary
Name:[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE
Formula:C19 H18 N2 O2 S
Formal charge:0
Formula weight:338.423 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(4R)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
OpenEye OEToolkits1.5.0[(4R)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-sulfanylidene-3,4-dihydropyrimidin-5-yl]-phenyl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(=O)c3ccccc3
SMILES_CANONICALCACTVS3.341CN1C(=C([C@H](NC1=S)c2cccc(O)c2)C(=O)c3ccccc3)C
SMILESCACTVS3.341CN1C(=C([CH](NC1=S)c2cccc(O)c2)C(=O)c3ccccc3)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3
SMILESOpenEye OEToolkits1.5.0CC1=C(C(NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3
InChIInChI1.03InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyInChI1.03JGBBILLMZPWNFU-QGZVFWFLSA-N

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon