4-[(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-[(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-[(5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(5-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]-3-nitrobenzamide IUPAC Name: 4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-nitro-benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S/c1-12-17-20(30-18(12)13-5-3-2-4-6-13)23-11-24(21(17)27)10-15-8-7-14(19(22)26)9-16(15)25(28)29/h2-9,11H,10H2,1H3,(H2,22,26)