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

Systemtic Name: N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-(6-amino-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-methyl-benzamide CAS Name: N-[6-amino-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCC(C)C)N

InChI

InChI=1S/C17H22N4O2S/c1-10(2)8-9-24-17-20-14(18)13(16(23)21-17)19-15(22)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H3,18,20,21,23)