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N-[2-(4-azanyl-6,7-dimethoxy-5-pyridin-2-yl-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

N-[2-(4-azanyl-6,7-dimethoxy-5-pyridin-2-yl-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name:N-[2-(4-azanyl-6,7-dimethoxy-5-pyridin-2-yl-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid
Openeye Name:N-[2-[4-amino-6,7-dimethoxy-5-(2-pyridyl)quinazolin-2-yl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid
CAS Name:N-[2-[4-amino-6,7-dimethoxy-5-(2-pyridinyl)-2-quinazolinyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid
IUPAC Name:N-[2-(4-amino-6,7-dimethoxy-5-pyridin-2-ylquinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Traditional Name:N-[2-[4-amino-6,7-dimethoxy-5-(2-pyridyl)quinazolin-2-yl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide; (E,3S,5R)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid
Formula: C49H52FN7O8S
MolecularWeight: 918.042683
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F.COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C)C5=CC=CC=N5)OC


Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F.COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C)C5=CC=CC=N5)OC


InChI

InChI=1S/C25H26N6O4S.C24H26FNO4/c1-34-20-13-19-22(21(23(20)35-2)18-8-4-5-11-27-18)24(26)29-25(28-19)31-12-10-16-15(14-31)7-6-9-17(16)30-36(3,32)33;1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h4-9,11,13,30H,10,12,14H2,1-3H3,(H2,26,28,29);3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b;12-11+/t;18-,19-/m.0/s1


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