5-[(4-butoxyphenyl)methyl]-6-methyl-N-pentyl-2-phenyl-pyrimidin-4-amine hydrochloride

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-6-methyl-N-pentyl-2-phenyl-pyrimidin-4-amine hydrochloride Openeye Name: 5-[(4-butoxyphenyl)methyl]-6-methyl-N-pentyl-2-phenyl-pyrimidin-4-amine hydrochloride CAS Name: 5-[(4-butoxyphenyl)methyl]-6-methyl-N-pentyl-2-phenyl-4-pyrimidinamine hydrochloride IUPAC Name: 5-[(4-butoxyphenyl)methyl]-6-methyl-N-pentyl-2-phenylpyrimidin-4-amine hydrochloride Traditional Name: amyl-[5-(4-butoxybenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]amine hydrochloride Formula: C27H36ClN3O MolecularWeight: 454.04724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1CC2=CC=C(C=C2)OCCCC)C)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1CC2=CC=C(C=C2)OCCCC)C)C3=CC=CC=C3.Cl

InChI

InChI=1S/C27H35N3O.ClH/c1-4-6-11-18-28-27-25(20-22-14-16-24(17-15-22)31-19-7-5-2)21(3)29-26(30-27)23-12-9-8-10-13-23;/h8-10,12-17H,4-7,11,18-20H2,1-3H3,(H,28,29,30);1H