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

Systemtic Name: N6-butyl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(butylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c1-2-3-14-23-21-20(27(28)29)22(25-17-24-21)26(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17H,2-3,14-16H2,1H3,(H,23,24,25)