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HNR

Summary
Name:N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYL-BENZENESULFONAMIDE
Formula:C15 H20 N4 O4 S
Formal charge:0
Formula weight:352.409 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
OpenEye OEToolkits1.9.2N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)CCCC)C
InChIInChI1.03InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)
InChIKeyInChI1.03BDLSZMGNNJOQJF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N
SMILESOpenEye OEToolkits1.9.2CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N

221051

PDB entries from 2024-06-12

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