2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-(o-tolyl)-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-(o-tolyl)-1,4-dihydropyrimidine-5-carboxamide Formula: C28H27N5O3S MolecularWeight: 513.61068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=NC2C3=CC(=C(C=C3)OC)OC)NC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=NC2C3=CC(=C(C=C3)OC)OC)NC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C28H27N5O3S/c1-16-9-5-6-10-19(16)30-26(34)24-17(2)29-27(33-28-31-20-11-7-8-12-23(20)37-28)32-25(24)18-13-14-21(35-3)22(15-18)36-4/h5-15,25H,1-4H3,(H,30,34)(H2,29,31,32,33)