[6-methoxy-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]-4-oxidanylidene-quinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-methoxy-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]-4-oxidanylidene-quinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-6-methoxy-4-oxo-quinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [7-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-6-methoxy-4-oxo-3-quinazolinyl]methyl ester IUPAC Name: [7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [7-[2-hydroxy-3-(4-methylpiperazino)propoxy]-4-keto-6-methoxy-quinazolin-3-yl]methyl ester Formula: C23H34N4O6 MolecularWeight: 462.53926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)OCC(CN3CCN(CC3)C)O

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)OCC(CN3CCN(CC3)C)O

InChI

InChI=1S/C23H34N4O6/c1-23(2,3)22(30)33-15-27-14-24-18-11-20(19(31-5)10-17(18)21(27)29)32-13-16(28)12-26-8-6-25(4)7-9-26/h10-11,14,16,28H,6-9,12-13,15H2,1-5H3