N4-(2-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(2-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(2-ethylphenyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(2-ethylphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C21H25N7 MolecularWeight: 375.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H25N7/c1-2-16-7-3-4-8-17(16)26-20-19(22)21(25-15-24-20)28-13-11-27(12-14-28)18-9-5-6-10-23-18/h3-10,15H,2,11-14,22H2,1H3,(H,24,25,26)