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

Systemtic Name: 6-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-indolin-1-yl-5-nitro-pyrimidin-4-amine CAS Name: 6-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43)OC

InChI

InChI=1S/C22H23N5O4/c1-30-18-8-7-15(13-19(18)31-2)9-11-23-21-20(27(28)29)22(25-14-24-21)26-12-10-16-5-3-4-6-17(16)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25)