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

Systemtic Name: N-(4-butylphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-indolin-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H23N5O2/c1-2-3-6-16-9-11-18(12-10-16)25-21-20(27(28)29)22(24-15-23-21)26-14-13-17-7-4-5-8-19(17)26/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,23,24,25)