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

Systemtic Name: N-[2-methyl-4-oxidanylidene-6-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(6-benzyl-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[2-methyl-4-oxo-6-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]-3-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(6-benzyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(6-benzyl-4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C25H20N6O4S MolecularWeight: 500.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N1NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N1NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N6O4S/c1-16-27-24-22(12-21(36-24)11-17-6-3-2-4-7-17)25(33)30(16)28-23(32)19-9-5-8-18(10-19)14-29-15-20(13-26-29)31(34)35/h2-10,12-13,15H,11,14H2,1H3,(H,28,32)