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

Systemtic Name: 5-(4-propylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: 5-(4-propylphenyl)-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: 5-(4-propylphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 5-(4-propylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-propylphenyl)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)C4=CC=CC=N4)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)C4=CC=CC=N4)N

InChI

InChI=1S/C22H27N7/c1-2-5-16-7-9-17(10-8-16)19-20(23)26-22(27-21(19)24)29-14-12-28(13-15-29)18-6-3-4-11-25-18/h3-4,6-11H,2,5,12-15H2,1H3,(H4,23,24,26,27)