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

Systemtic Name: N6-butyl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25N5O4/c1-4-5-9-19-17-16(23(24)25)18(22-12-21-17)20-10-8-13-6-7-14(26-2)15(11-13)27-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,19,20,21,22)