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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-imidazol-1-ylpropylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[3-(1-imidazolyl)propylamino]-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(homoveratrylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Formula: C28H33N7O3 MolecularWeight: 515.60672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4)OC

InChI

InChI=1S/C28H33N7O3/c1-37-24-10-9-21(17-25(24)38-2)11-13-30-26-23(27(36)32-18-22-7-4-3-5-8-22)19-33-28(34-26)31-12-6-15-35-16-14-29-20-35/h3-5,7-10,14,16-17,19-20H,6,11-13,15,18H2,1-2H3,(H,32,36)(H2,30,31,33,34)