N4-(4-butylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(3-methyl-1-piperidyl)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(3-methyl-1-piperidinyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3-methylpiperidino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C20H29N5 MolecularWeight: 339.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCCC(C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCCC(C3)C

InChI

InChI=1S/C20H29N5/c1-3-4-7-16-8-10-17(11-9-16)24-19-18(21)20(23-14-22-19)25-12-5-6-15(2)13-25/h8-11,14-15H,3-7,12-13,21H2,1-2H3,(H,22,23,24)