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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O6/c1-28-11-9-24(10-12-29-2)20-18(25(26)27)19(22-14-23-20)21-8-7-15-5-6-16(30-3)17(13-15)31-4/h5-6,13-14H,7-12H2,1-4H3,(H,21,22,23)