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

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O2/c1-18(2)13-14-24-22-21(28(29)30)23(26-17-25-22)27(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,24,25,26)