N4-(4-butylphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-butylphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-homoveratryl-amine Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)N

InChI

InChI=1S/C24H31N5O2/c1-4-5-6-17-7-10-19(11-8-17)29-24-22(25)23(27-16-28-24)26-14-13-18-9-12-20(30-2)21(15-18)31-3/h7-12,15-16H,4-6,13-14,25H2,1-3H3,(H2,26,27,28,29)