6-azanyl-1-(3-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one

Systemtic Name: 6-azanyl-1-(3-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one Openeye Name: 6-amino-1-(m-tolyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 6-amino-1-(3-methylphenyl)-2-[(4-nitrophenyl)methylthio]-4-pyrimidinone IUPAC Name: 6-amino-1-(3-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 6-amino-1-(m-tolyl)-2-[(4-nitrobenzyl)thio]pyrimidin-4-one Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16N4O3S/c1-12-3-2-4-15(9-12)21-16(19)10-17(23)20-18(21)26-11-13-5-7-14(8-6-13)22(24)25/h2-10H,11,19H2,1H3