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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4/c1-5-6-11-23(2)19-17(24(25)26)18(21-13-22-19)20-10-9-14-7-8-15(27-3)16(12-14)28-4/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,20,21,22)