2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(1-naphthyl)butyramide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C=C(N3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C18H18N4O2S/c1-2-14(25-18-21-15(19)10-16(23)22-18)17(24)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,2H2,1H3,(H,20,24)(H3,19,21,22,23)