2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-naphthalen-1-yl-butanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(1-naphthyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(1-naphthyl)butyramide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C=C(N3CCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C=C(N3CCC4=CC=CC=C4)N

InChI

InChI=1S/C26H26N4O2S/c1-2-22(25(32)28-21-14-8-12-19-11-6-7-13-20(19)21)33-26-29-24(31)17-23(27)30(26)16-15-18-9-4-3-5-10-18/h3-14,17,22H,2,15-16,27H2,1H3,(H,28,32)