2-(1,3-benzothiazol-6-ylamino)-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propyl-phenoxy)pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propyl-phenoxy)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propyl-phenoxy)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzothiazol-6-ylamino)-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propylphenoxy)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propylphenoxy)pyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propyl-phenoxy)pyrimidine-5-carboxamide Formula: C30H29N5O3S MolecularWeight: 539.64796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC2=NC(=NC=C2C(=O)NC3=C(C=CC=C3C)C)NC4=CC5=C(C=C4)N=CS5)OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)OC2=NC(=NC=C2C(=O)NC3=C(C=CC=C3C)C)NC4=CC5=C(C=C4)N=CS5)OC

InChI

InChI=1S/C30H29N5O3S/c1-5-7-20-10-13-24(25(14-20)37-4)38-29-22(28(36)34-27-18(2)8-6-9-19(27)3)16-31-30(35-29)33-21-11-12-23-26(15-21)39-17-32-23/h6,8-17H,5,7H2,1-4H3,(H,34,36)(H,31,33,35)