S-[3-[2-[[2-(4-butanoylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[2-[[2-(4-butanoylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[2-[[2-(4-butanoylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[2-[[[6,7-dimethoxy-2-[4-(1-oxobutyl)-1-piperazinyl]-4-quinazolinyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[2-[[2-(4-butanoylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[2-[[2-(4-butyrylpiperazino)-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C29H40N6O6S MolecularWeight: 600.7295

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC(=O)C4CCCN4C(=O)C(C)CSC(=O)C)OC)OC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC(=O)C4CCCN4C(=O)C(C)CSC(=O)C)OC)OC

InChI

InChI=1S/C29H40N6O6S/c1-6-8-25(37)33-11-13-34(14-12-33)29-30-21-16-24(41-5)23(40-4)15-20(21)26(32-29)31-27(38)22-9-7-10-35(22)28(39)18(2)17-42-19(3)36/h15-16,18,22H,6-14,17H2,1-5H3,(H,30,31,32,38)