6-methyl-5-(4-methylphenyl)-2-[[(3-nitrophenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[[(3-nitrophenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(3-nitroanilino)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[(3-nitroanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(3-nitroanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[(3-nitroanilino)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N4O3S/c1-12-6-8-14(9-7-12)18-13(2)29-21-19(18)20(26)23-17(24-21)11-22-15-4-3-5-16(10-15)25(27)28/h3-10,22H,11H2,1-2H3,(H,23,24,26)