2-methoxyethyl 6-[3-(cyclopentylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-[3-(cyclopentylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[3-(cyclopentanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[cyclopentyl(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[3-(cyclopentanecarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(cyclopentanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3CCCC3)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3CCCC3)C(=O)OCCOC

InChI

InChI=1S/C22H29N3O4S/c1-14-18(21(27)29-12-11-28-3)19(24-22(30)25(14)2)16-9-6-10-17(13-16)23-20(26)15-7-4-5-8-15/h6,9-10,13,15,19H,4-5,7-8,11-12H2,1-3H3,(H,23,26)(H,24,30)