N4-(diphenylmethyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(diphenylmethyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: benzhydryl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c28-27(29)20-21(23-14-18-12-7-13-30-18)24-15-25-22(20)26-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,15,18-19H,7,12-14H2,(H2,23,24,25,26)