N-(4-methoxy-2-nitro-phenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S2/c1-29-14-7-8-16(17(9-14)25(27)28)24-19(26)11-30-20-15-10-18(13-5-3-2-4-6-13)31-21(15)23-12-22-20/h2-10,12H,11H2,1H3,(H,24,26)