4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-isobutyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)-2-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinecarboxamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-(homoveratrylamino)-N-isobutyl-2-(3-pyrrolidinopropylamino)pyrimidine-5-carboxamide Formula: C26H40N6O3 MolecularWeight: 484.6342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN=C(N=C1NCCC2=CC(=C(C=C2)OC)OC)NCCCN3CCCC3

Isomeric SMILES

CC(C)CNC(=O)C1=CN=C(N=C1NCCC2=CC(=C(C=C2)OC)OC)NCCCN3CCCC3

InChI

InChI=1S/C26H40N6O3/c1-19(2)17-29-25(33)21-18-30-26(28-11-7-15-32-13-5-6-14-32)31-24(21)27-12-10-20-8-9-22(34-3)23(16-20)35-4/h8-9,16,18-19H,5-7,10-15,17H2,1-4H3,(H,29,33)(H2,27,28,30,31)