N6-(2-ethylphenyl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(2-ethylphenyl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(2-ethylphenyl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(2-ethylphenyl)-N4-(4-methyl-1-piperazinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(2-ethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C17H25N7 MolecularWeight: 327.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NN3CCN(CC3)C)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NN3CCN(CC3)C)N

InChI

InChI=1S/C17H25N7/c1-3-13-6-4-5-7-14(13)21-16-15(18)17(20-12-19-16)22-24-10-8-23(2)9-11-24/h4-7,12H,3,8-11,18H2,1-2H3,(H2,19,20,21,22)