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

Systemtic Name: N6-butyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(butylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C15H19N5O2/c1-2-3-9-16-14-13(20(21)22)15(19-11-18-14)17-10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H2,16,17,18,19)