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

Systemtic Name: 3-azanyl-7-[(3R,4S)-3-(2-azanylpropan-2-yl)-4-fluoranyl-pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-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-methyl-quinazoline-2,4-dione CAS Name: 3-amino-7-[(3R,4S)-3-(2-aminopropan-2-yl)-4-fluoro-1-pyrrolidinyl]-1-cyclopropyl-8-methylquinazoline-2,4-dione IUPAC Name: 3-amino-7-[(3R,4S)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methylquinazoline-2,4-dione Traditional Name: 3-amino-7-[(3R,4S)-3-(1-amino-1-methyl-ethyl)-4-fluoro-pyrrolidino]-1-cyclopropyl-8-methyl-quinazoline-2,4-quinone Formula: C19H26FN5O2 MolecularWeight: 375.440443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=O)N(C2=O)N)C3CC3)N4CC(C(C4)F)C(C)(C)N

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=O)N(C2=O)N)C3CC3)N4C[C@@H]([C@@H](C4)F)C(C)(C)N

InChI

InChI=1S/C19H26FN5O2/c1-10-15(23-8-13(14(20)9-23)19(2,3)21)7-6-12-16(10)24(11-4-5-11)18(27)25(22)17(12)26/h6-7,11,13-14H,4-5,8-9,21-22H2,1-3H3/t13-,14+/m0/s1