1-[3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl]-2-pyrrolidone Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN6O3/c18-12-4-6-13(7-5-12)21-17-20-11-14(24(26)27)16(22-17)19-8-2-10-23-9-1-3-15(23)25/h4-7,11H,1-3,8-10H2,(H2,19,20,21,22)