6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-indolin-1-yl-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: (6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-(2-methoxy-5-methyl-phenyl)amine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C20H19N5O3/c1-13-7-8-17(28-2)15(11-13)23-19-18(25(26)27)20(22-12-21-19)24-10-9-14-5-3-4-6-16(14)24/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23)