ethyl 4-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27ClN4O5S MolecularWeight: 482.98088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C21H27ClN4O5S/c1-3-31-21(29)25-10-8-24(9-11-25)18(27)14-32-20-23-17-13-15(22)5-6-16(17)19(28)26(20)7-4-12-30-2/h5-6,13H,3-4,7-12,14H2,1-2H3