N6-(3-methoxypropyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-30-14-8-13-23-21-20(27(28)29)22(25-17-24-21)26(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-7,9-12,17H,8,13-16H2,1H3,(H,23,24,25)