[3-[5-azanyl-6-(tert-butylcarbamoyl)-2-methylsulfanyl-quinazolin-4-yl]phenyl] N,N-diethylcarbamate

Systemtic Name: [3-[5-azanyl-6-(tert-butylcarbamoyl)-2-methylsulfanyl-quinazolin-4-yl]phenyl] N,N-diethylcarbamate Openeye Name: [3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanyl-quinazolin-4-yl]phenyl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [3-[5-amino-6-[(tert-butylamino)-oxomethyl]-2-(methylthio)-4-quinazolinyl]phenyl] ester IUPAC Name: [3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylquinazolin-4-yl]phenyl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [3-[5-amino-6-(tert-butylcarbamoyl)-2-(methylthio)quinazolin-4-yl]phenyl] ester Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=CC=CC(=C1)C2=NC(=NC3=C2C(=C(C=C3)C(=O)NC(C)(C)C)N)SC

Isomeric SMILES

CCN(CC)C(=O)OC1=CC=CC(=C1)C2=NC(=NC3=C2C(=C(C=C3)C(=O)NC(C)(C)C)N)SC

InChI

InChI=1S/C25H31N5O3S/c1-7-30(8-2)24(32)33-16-11-9-10-15(14-16)21-19-18(27-23(28-21)34-6)13-12-17(20(19)26)22(31)29-25(3,4)5/h9-14H,7-8,26H2,1-6H3,(H,29,31)