6-[[[2-azanyl-6-(4-methylphenyl)sulfanyl-pyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[[2-azanyl-6-(4-methylphenyl)sulfanyl-pyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 6-[[[2-amino-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[[[2-amino-6-[(4-methylphenyl)thio]-4-pyrimidinyl]amino]methyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[[[2-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[[[2-amino-6-(p-tolylthio)pyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-4-one Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NC(=C2)NCC3=CC(=O)N=C(N3)C)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NC(=C2)NCC3=CC(=O)N=C(N3)C)N

InChI

InChI=1S/C17H18N6OS/c1-10-3-5-13(6-4-10)25-16-8-14(22-17(18)23-16)19-9-12-7-15(24)21-11(2)20-12/h3-8H,9H2,1-2H3,(H,20,21,24)(H3,18,19,22,23)