N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H27N5O4/c1-13(2)7-9-20-18-17(24(25)26)19(23-12-22-18)21-10-8-14-5-6-15(27-3)16(11-14)28-4/h5-6,11-13H,7-10H2,1-4H3,(H2,20,21,22,23)