4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-5-nitro-6-pyrrolidino-pyrimidine Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O2/c19-14-4-3-5-15(12-14)22-8-10-24(11-9-22)18-16(25(26)27)17(20-13-21-18)23-6-1-2-7-23/h3-5,12-13H,1-2,6-11H2