6-methyl-5-(4-methylphenyl)-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(5-nitro-2-oxo-1-pyridyl)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(5-nitro-2-oxopyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-5-nitro-1-pyridyl)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4C=C(C=CC4=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4C=C(C=CC4=O)[N+](=O)[O-])C

InChI

InChI=1S/C20H16N4O4S/c1-11-3-5-13(6-4-11)17-12(2)29-20-18(17)19(26)21-15(22-20)10-23-9-14(24(27)28)7-8-16(23)25/h3-9H,10H2,1-2H3,(H,21,22,26)