3-azanyl-7-[(3S,4S,5R)-3-azanyl-5-methyl-4-propan-2-yl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-quinazoline-2,4-dione

Systemtic Name: 3-azanyl-7-[(3S,4S,5R)-3-azanyl-5-methyl-4-propan-2-yl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-quinazoline-2,4-dione Openeye Name: 3-amino-7-[(3S,4S,5R)-3-amino-4-isopropyl-5-methyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methyl-quinazoline-2,4-dione CAS Name: 3-amino-7-[(3S,4S,5R)-3-amino-5-methyl-4-propan-2-yl-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione IUPAC Name: 3-amino-7-[(3S,4S,5R)-3-amino-5-methyl-4-propan-2-ylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione Traditional Name: 3-amino-7-[(3S,4S,5R)-3-amino-4-isopropyl-5-methyl-piperidino]-1-cyclopropyl-6-fluoro-8-methyl-quinazoline-2,4-quinone Formula: C21H30FN5O2 MolecularWeight: 403.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1C(C)C)N)C2=C(C=C3C(=C2C)N(C(=O)N(C3=O)N)C4CC4)F

Isomeric SMILES

C[C@H]1CN(C[C@H]([C@H]1C(C)C)N)C2=C(C=C3C(=C2C)N(C(=O)N(C3=O)N)C4CC4)F

InChI

InChI=1S/C21H30FN5O2/c1-10(2)17-11(3)8-25(9-16(17)23)19-12(4)18-14(7-15(19)22)20(28)27(24)21(29)26(18)13-5-6-13/h7,10-11,13,16-17H,5-6,8-9,23-24H2,1-4H3/t11-,16+,17-/m0/s1