5-(4-methylphenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: 5-(4-methylphenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 5-(p-tolyl)-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: 5-(4-methylphenyl)-2-[4-(2-oxolanylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 5-(4-methylphenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(p-tolyl)-2-[4-(tetrahydrofurfuryl)piperazino]pyrimidin-4-yl]amine Formula: C20H28N6O MolecularWeight: 368.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)CC4CCCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)CC4CCCO4)N

InChI

InChI=1S/C20H28N6O/c1-14-4-6-15(7-5-14)17-18(21)23-20(24-19(17)22)26-10-8-25(9-11-26)13-16-3-2-12-27-16/h4-7,16H,2-3,8-13H2,1H3,(H4,21,22,23,24)