N4-(6-methylpyridin-2-yl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(6-methylpyridin-2-yl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(6-methyl-2-pyridyl)pyrimidine-4,5-diamine CAS Name: N4-(6-methyl-2-pyridinyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C21H25N7 MolecularWeight: 375.4701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N7/c1-16-6-5-9-18(25-16)26-20-19(22)21(24-15-23-20)28-12-10-27(11-13-28)14-17-7-3-2-4-8-17/h2-9,15H,10-14,22H2,1H3,(H,23,24,25,26)