6-(benzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)OC

InChI

InChI=1S/C21H20N6O4/c1-30-17-8-7-14(11-18(17)31-2)9-10-22-20-19(27(28)29)21(24-12-23-20)26-13-25-15-5-3-4-6-16(15)26/h3-8,11-13H,9-10H2,1-2H3,(H,22,23,24)