N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-indolin-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4/c26-25(27)18-19(23-14-5-6-16-17(11-14)29-10-9-28-16)21-12-22-20(18)24-8-7-13-3-1-2-4-15(13)24/h1-6,11-12H,7-10H2,(H,21,22,23)