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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4/c1-5-22(6-2)18-16(23(24)25)17(20-12-21-18)19-10-9-13-7-8-14(26-3)15(11-13)27-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21)