N4-(oxolan-2-ylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(oxolan-2-ylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5-diamine CAS Name: N4-(2-oxolanylmethyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C20H28N6O MolecularWeight: 368.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H28N6O/c21-18-19(22-13-17-7-4-12-27-17)23-15-24-20(18)26-10-8-25(9-11-26)14-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14,21H2,(H,22,23,24)