N6-(4-butylphenyl)-N4-(1-phenylethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(1-phenylethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(1-phenylethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(1-phenylethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C22H27N5 MolecularWeight: 361.48328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5/c1-3-4-8-17-11-13-19(14-12-17)27-22-20(23)21(24-15-25-22)26-16(2)18-9-6-5-7-10-18/h5-7,9-16H,3-4,8,23H2,1-2H3,(H2,24,25,26,27)