cyclohexyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C21H21N3O5S/c1-12-17-19(25)22-16(11-13-7-9-14(10-8-13)24(27)28)23-20(17)30-18(12)21(26)29-15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,22,23,25)