N4-(4-butylphenyl)-N6-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-butylphenyl)-N6-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-p-anisyl-amine Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)N

InChI

InChI=1S/C22H27N5O/c1-3-4-5-16-6-10-18(11-7-16)27-22-20(23)21(25-15-26-22)24-14-17-8-12-19(28-2)13-9-17/h6-13,15H,3-5,14,23H2,1-2H3,(H2,24,25,26,27)