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

Systemtic Name: 6-(2,3-dihydroindol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-indolin-1-yl-5-nitro-pyrimidin-4-amine CAS Name: 6-(2,3-dihydroindol-1-yl)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2,3-dihydroindol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2/c26-25(27)16-17(20-7-3-9-23-11-8-19-13-23)21-12-22-18(16)24-10-6-14-4-1-2-5-15(14)24/h1-2,4-5,8,11-13H,3,6-7,9-10H2,(H,20,21,22)