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

Systemtic Name: 5-(4-pentylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: 5-(4-pentylphenyl)-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: 5-(4-pentylphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 5-(4-pentylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-amylphenyl)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C24H31N7 MolecularWeight: 417.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)C4=CC=CC=N4)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)C4=CC=CC=N4)N

InChI

InChI=1S/C24H31N7/c1-2-3-4-7-18-9-11-19(12-10-18)21-22(25)28-24(29-23(21)26)31-16-14-30(15-17-31)20-8-5-6-13-27-20/h5-6,8-13H,2-4,7,14-17H2,1H3,(H4,25,26,28,29)