2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-pyridylmethyl)phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[4-(4-pyridylmethyl)phenyl]acetamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C18H17N5O2S/c19-15-10-16(24)23-18(22-15)26-11-17(25)21-14-3-1-12(2-4-14)9-13-5-7-20-8-6-13/h1-8,10H,9,11H2,(H,21,25)(H3,19,22,23,24)