tert-butyl 4-[[2-(4-azanyl-6,7-dimethoxy-5-pyridin-2-yl-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(4-azanyl-6,7-dimethoxy-5-pyridin-2-yl-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[4-amino-6,7-dimethoxy-5-(2-pyridyl)quinazolin-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[4-amino-6,7-dimethoxy-5-(2-pyridinyl)-2-quinazolinyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(4-amino-6,7-dimethoxy-5-pyridin-2-ylquinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[2-[4-amino-6,7-dimethoxy-5-(2-pyridyl)quinazolin-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H39N7O6S MolecularWeight: 661.77106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCN(C3)C4=NC5=CC(=C(C(=C5C(=N4)N)C6=CC=CC=N6)OC)OC)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCN(C3)C4=NC5=CC(=C(C(=C5C(=N4)N)C6=CC=CC=N6)OC)OC)C=C2

InChI

InChI=1S/C33H39N7O6S/c1-33(2,3)46-32(41)38-14-16-40(17-15-38)47(42,43)23-10-9-21-11-13-39(20-22(21)18-23)31-36-25-19-26(44-4)29(45-5)27(28(25)30(34)37-31)24-8-6-7-12-35-24/h6-10,12,18-19H,11,13-17,20H2,1-5H3,(H2,34,36,37)