N6-(4-butylphenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-methyl-N4-(1-methyl-4-piperidyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C21H32N6 MolecularWeight: 368.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)N

InChI

InChI=1S/C21H32N6/c1-4-5-6-16-7-9-17(10-8-16)25-20-19(22)21(24-15-23-20)27(3)18-11-13-26(2)14-12-18/h7-10,15,18H,4-6,11-14,22H2,1-3H3,(H,23,24,25)