6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-N-(2-oxolanylmethyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C26H30N6O3 MolecularWeight: 474.5548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O3/c33-32(34)24-25(27-18-22-12-7-17-35-22)28-19-29-26(24)31-15-13-30(14-16-31)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,19,22-23H,7,12-18H2,(H,27,28,29)