N4-(3-methoxyphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(3-methoxyphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine CAS Name: N4-(3-methoxyphenyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O/c1-29-19-9-5-8-18(14-19)26-21-20(23)22(25-16-24-21)28-12-10-27(11-13-28)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15,23H2,1H3,(H,24,25,26)