2-methoxyethyl 6-(4-tert-butylphenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-(4-tert-butylphenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(4-tert-butylphenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(4-tert-butylphenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCCOC

InChI

InChI=1S/C22H30N2O3S/c1-14-18(20(25)27-13-12-26-5)19(23-21(28)24(14)17-10-11-17)15-6-8-16(9-7-15)22(2,3)4/h6-9,17,19H,10-13H2,1-5H3,(H,23,28)