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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N

InChI

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