tert-butyl 4-[6-methoxy-7-[3-(2-methylpropylsulfanyl)propoxy]quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methoxy-7-[3-(2-methylpropylsulfanyl)propoxy]quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(3-isobutylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-methoxy-7-[3-(2-methylpropylthio)propoxy]-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methoxy-7-[3-(2-methylpropylsulfanyl)propoxy]quinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[3-(isobutylthio)propoxy]-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC(C)CSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C25H38N4O4S/c1-18(2)16-34-13-7-12-32-22-15-20-19(14-21(22)31-6)23(27-17-26-20)28-8-10-29(11-9-28)24(30)33-25(3,4)5/h14-15,17-18H,7-13,16H2,1-6H3