6,7-dimethoxy-2-(7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-yl-quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-(7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-yl-quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-(7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-pyridyl)quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[7-(1-piperazinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(2-pyridinyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-(7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-(7-piperazinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-pyridyl)quinazolin-4-yl]amine Formula: C28H31N7O4S MolecularWeight: 561.65524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N5CCNCC5)C6=CC=CC=N6)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N5CCNCC5)C6=CC=CC=N6)OC

InChI

InChI=1S/C28H31N7O4S/c1-38-23-16-22-25(24(26(23)39-2)21-5-3-4-9-31-21)27(29)33-28(32-22)34-12-8-18-6-7-20(15-19(18)17-34)40(36,37)35-13-10-30-11-14-35/h3-7,9,15-16,30H,8,10-14,17H2,1-2H3,(H2,29,32,33)