(5-chloranyl-2-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C19H21ClN6O3 MolecularWeight: 416.86144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN6O3/c20-14-3-4-16(26(28)29)15(11-14)19(27)25-9-7-24(8-10-25)18-12-17(21-13-22-18)23-5-1-2-6-23/h3-4,11-13H,1-2,5-10H2