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

Systemtic Name: N4-methyl-N6-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-isopentyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2/c1-13(2)9-10-18-16-15(22(23)24)17(20-12-19-16)21(3)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,19,20)