N-[4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]phenyl]hexanamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C18H22N4O3S/c1-2-3-4-5-16(24)20-13-8-6-12(7-9-13)14(23)11-26-18-21-15(19)10-17(25)22-18/h6-10H,2-5,11H2,1H3,(H,20,24)(H3,19,21,22,25)