N-(6-ethyl-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(6-ethyl-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(6-ethyl-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-(6-ethyl-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-3-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(6-ethyl-4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N6O4S/c1-3-16-8-17-19(31-16)22-12(2)25(20(17)28)23-18(27)14-6-4-5-13(7-14)10-24-11-15(9-21-24)26(29)30/h4-9,11H,3,10H2,1-2H3,(H,23,27)