2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-5-carboxamide Openeye Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-5-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-5-carboxamide Traditional Name: 2-(m-anisylamino)-4-methyl-N-[2-(4-methylpiperazino)ethyl]pyrimidine-5-carboxamide Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H30N6O2/c1-16-19(20(28)22-7-8-27-11-9-26(2)10-12-27)15-24-21(25-16)23-14-17-5-4-6-18(13-17)29-3/h4-6,13,15H,7-12,14H2,1-3H3,(H,22,28)(H,23,24,25)