N4-(1,3-benzodioxol-5-yl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N5O4/c1-10(2)5-6-17-15-14(21(22)23)16(19-8-18-15)20-11-3-4-12-13(7-11)25-9-24-12/h3-4,7-8,10H,5-6,9H2,1-2H3,(H2,17,18,19,20)