N-[2-(4-ethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-2-(4-methylpiperazino)-N-(2-p-phenetylethyl)pyrimidine-5-carboxamide Formula: C21H29N5O2 MolecularWeight: 383.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)C2=CN=C(N=C2C)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)C2=CN=C(N=C2C)N3CCN(CC3)C

InChI

InChI=1S/C21H29N5O2/c1-4-28-18-7-5-17(6-8-18)9-10-22-20(27)19-15-23-21(24-16(19)2)26-13-11-25(3)12-14-26/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)