N4-(2-ethoxyphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethoxyphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethoxyphenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethoxyphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethoxyphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3/c1-4-25-14-8-6-5-7-13(14)21-17-15(22(23)24)16(19-11-20-17)18-10-9-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,18,19,20,21)