1-[4-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]amino]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]-2-pyrrolidone Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3/c24-15-2-1-9-22(15)13-7-5-12(6-8-13)20-17-18-10-14(23(25)26)16(21-17)19-11-3-4-11/h5-8,10-11H,1-4,9H2,(H2,18,19,20,21)