bicyclo[2.2.0]hexa-1(4),2,5-triene; S-[3-[2-[[2-(2-ethanoylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; S-[3-[2-[[2-(2-ethanoylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[2-[[2-(2-acetylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; ethanethioic acid S-[3-[2-[[[2-(2-acetyl-1-piperazinyl)-6,7-dimethoxy-4-quinazolinyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[2-[[2-(2-acetylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate; bicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; ethanethioic acid S-[3-[2-[[2-(2-acetylpiperazino)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C33H40N6O6S MolecularWeight: 648.7723

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)N4CCNCC4C(=O)C.C1=CC2=C1C=C2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)N4CCNCC4C(=O)C.C1=CC2=C1C=C2

InChI

InChI=1S/C27H36N6O6S.C6H4/c1-15(14-40-17(3)35)26(37)32-9-6-7-20(32)25(36)30-24-18-11-22(38-4)23(39-5)12-19(18)29-27(31-24)33-10-8-28-13-21(33)16(2)34;1-2-6-4-3-5(1)6/h11-12,15,20-21,28H,6-10,13-14H2,1-5H3,(H,29,30,31,36);1-4H