3-azanyl-7-[(3R,4S)-3-(2-azanylpropan-2-yl)-4-fluoranyl-pyrrolidin-1-yl]-1-cyclopropyl-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-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-8-methoxy-quinazoline-2,4-dione CAS Name: 3-amino-7-[(3R,4S)-3-(2-aminopropan-2-yl)-4-fluoro-1-pyrrolidinyl]-1-cyclopropyl-8-methoxyquinazoline-2,4-dione IUPAC Name: 3-amino-7-[(3R,4S)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methoxyquinazoline-2,4-dione Traditional Name: 3-amino-7-[(3R,4S)-3-(1-amino-1-methyl-ethyl)-4-fluoro-pyrrolidino]-1-cyclopropyl-8-methoxy-quinazoline-2,4-quinone Formula: C19H26FN5O3 MolecularWeight: 391.439843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CN(CC1F)C2=C(C3=C(C=C2)C(=O)N(C(=O)N3C4CC4)N)OC)N

Isomeric SMILES

CC(C)([C@H]1CN(C[C@H]1F)C2=C(C3=C(C=C2)C(=O)N(C(=O)N3C4CC4)N)OC)N

InChI

InChI=1S/C19H26FN5O3/c1-19(2,21)12-8-23(9-13(12)20)14-7-6-11-15(16(14)28-3)24(10-4-5-10)18(27)25(22)17(11)26/h6-7,10,12-13H,4-5,8-9,21-22H2,1-3H3/t12-,13+/m0/s1