6-nitro-7-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]-1H-quinazolin-4-one Openeye Name: 6-nitro-7-[(2-pyrrolidin-1-yl-4-pyridyl)methylamino]-1H-quinazolin-4-one CAS Name: 6-nitro-7-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]-1H-quinazolin-4-one IUPAC Name: 6-nitro-7-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]-1H-quinazolin-4-one Traditional Name: 6-nitro-7-[(2-pyrrolidino-4-pyridyl)methylamino]-1H-quinazolin-4-one Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c25-18-13-8-16(24(26)27)15(9-14(13)21-11-22-18)20-10-12-3-4-19-17(7-12)23-5-1-2-6-23/h3-4,7-9,11,20H,1-2,5-6,10H2,(H,21,22,25)