7-[3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-3-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-quinazoline-2,4-dione

Systemtic Name: 7-[3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-3-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-quinazoline-2,4-dione Openeye Name: 3-amino-7-[3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-quinazoline-2,4-dione CAS Name: 3-amino-7-[3-(aminomethyl)-4-(trifluoromethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione IUPAC Name: 3-amino-7-[3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione Traditional Name: 3-amino-7-[3-(aminomethyl)-4-(trifluoromethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-8-methoxy-quinazoline-2,4-quinone Formula: C18H21F4N5O3 MolecularWeight: 431.384653

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CC(C(C3)C(F)(F)F)CN)F)C(=O)N(C(=O)N2C4CC4)N

Isomeric SMILES

COC1=C2C(=CC(=C1N3CC(C(C3)C(F)(F)F)CN)F)C(=O)N(C(=O)N2C4CC4)N

InChI

InChI=1S/C18H21F4N5O3/c1-30-15-13-10(16(28)27(24)17(29)26(13)9-2-3-9)4-12(19)14(15)25-6-8(5-23)11(7-25)18(20,21)22/h4,8-9,11H,2-3,5-7,23-24H2,1H3