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

Systemtic Name: 3-azanyl-7-[(3R,4S)-3-(2-azanylpropan-2-yl)-4-fluoranyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-quinazoline-2,4-dione Openeye Name: 3-amino-7-[(3R,4S)-3-(1-amino-1-methyl-ethyl)-4-fluoro-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-quinazoline-2,4-dione CAS Name: 3-amino-7-[(3R,4S)-3-(2-aminopropan-2-yl)-4-fluoro-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione IUPAC Name: 3-amino-7-[(3R,4S)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione Traditional Name: 3-amino-7-[(3R,4S)-3-(1-amino-1-methyl-ethyl)-4-fluoro-pyrrolidino]-1-cyclopropyl-6-fluoro-8-methoxy-quinazoline-2,4-quinone Formula: C19H25F2N5O3 MolecularWeight: 409.430306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CN(CC1F)C2=C(C=C3C(=C2OC)N(C(=O)N(C3=O)N)C4CC4)F)N

Isomeric SMILES

CC(C)([C@H]1CN(C[C@H]1F)C2=C(C=C3C(=C2OC)N(C(=O)N(C3=O)N)C4CC4)F)N

InChI

InChI=1S/C19H25F2N5O3/c1-19(2,22)11-7-24(8-13(11)21)15-12(20)6-10-14(16(15)29-3)25(9-4-5-9)18(28)26(23)17(10)27/h6,9,11,13H,4-5,7-8,22-23H2,1-3H3/t11-,13+/m0/s1