N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide

Systemtic Name: N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-(6-amino-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-methoxy-benzamide CAS Name: N-[6-amino-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N4O3S/c1-10(2)8-9-25-17-20-14(18)13(16(23)21-17)19-15(22)11-4-6-12(24-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H3,18,20,21,23)