methyl 4-[(3-cyclohexyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-cyclohexyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-cyclohexyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 4-[[(3-cyclohexyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyclohexyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-cyclohexyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C3CCCCC3)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C3CCCCC3)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-13-17-20(23-12-25(21(17)27)16-6-4-3-5-7-16)30-18(13)19(26)24-15-10-8-14(9-11-15)22(28)29-2/h8-12,16H,3-7H2,1-2H3,(H,24,26)