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

Systemtic Name: 3-azanyl-7-[(3R,4S)-3-[(1R)-1-azanyl-2-phenoxy-ethyl]-4-fluoranyl-pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-quinazoline-2,4-dione Openeye Name: 3-amino-7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxy-ethyl]-4-fluoro-pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-quinazoline-2,4-dione CAS Name: 3-amino-7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxyethyl]-4-fluoro-1-pyrrolidinyl]-1-cyclopropyl-8-methoxyquinazoline-2,4-dione IUPAC Name: 3-amino-7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxyethyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methoxyquinazoline-2,4-dione Traditional Name: 3-amino-7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxy-ethyl]-4-fluoro-pyrrolidino]-1-cyclopropyl-8-methoxy-quinazoline-2,4-quinone Formula: C24H28FN5O4 MolecularWeight: 469.508623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C(=O)N(C2=O)N)C3CC3)N4CC(C(C4)F)C(COC5=CC=CC=C5)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C(=O)N(C2=O)N)C3CC3)N4C[C@@H]([C@@H](C4)F)[C@H](COC5=CC=CC=C5)N

InChI

InChI=1S/C24H28FN5O4/c1-33-22-20(10-9-16-21(22)29(14-7-8-14)24(32)30(27)23(16)31)28-11-17(18(25)12-28)19(26)13-34-15-5-3-2-4-6-15/h2-6,9-10,14,17-19H,7-8,11-13,26-27H2,1H3/t17-,18+,19-/m0/s1