N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-4-methyl-benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-4-methyl-benzamide Openeye Name: N-(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-4-methylbenzamide Traditional Name: N-[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-3-8-22-15-18-12(16)11(14(21)19-15)17-13(20)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3,(H,17,20)(H3,16,18,19,21)