N2-(4-chlorophenyl)-N4-[2-(1H-indol-3-yl)ethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[2-(1H-indol-3-yl)ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[2-(1H-indol-3-yl)ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[2-(1H-indol-3-yl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[2-(1H-indol-3-yl)ethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[2-(1H-indol-3-yl)ethyl]amine Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN6O2/c21-14-5-7-15(8-6-14)25-20-24-12-18(27(28)29)19(26-20)22-10-9-13-11-23-17-4-2-1-3-16(13)17/h1-8,11-12,23H,9-10H2,(H2,22,24,25,26)