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

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C27H25N5O3S MolecularWeight: 499.5841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)NC2=NC3=CC=CC=C3S2)C4=CC(=C(C=C4)OC)OC)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N=C(N1)NC2=NC3=CC=CC=C3S2)C4=CC(=C(C=C4)OC)OC)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3S/c1-16-23(25(33)29-18-9-5-4-6-10-18)24(17-13-14-20(34-2)21(15-17)35-3)31-26(28-16)32-27-30-19-11-7-8-12-22(19)36-27/h4-15,24H,1-3H3,(H,29,33)(H2,28,30,31,32)