2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,6-diethylphenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2,6-diethylphenyl)propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C17H22N4O2S/c1-4-11-7-6-8-12(5-2)15(11)21-16(23)10(3)24-17-19-13(18)9-14(22)20-17/h6-10H,4-5H2,1-3H3,(H,21,23)(H3,18,19,20,22)