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

Systemtic Name: ethyl 4-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C21H28N4O5S/c1-3-30-21(28)24-12-10-23(11-13-24)18(26)15-31-20-22-17-8-5-4-7-16(17)19(27)25(20)9-6-14-29-2/h4-5,7-8H,3,6,9-15H2,1-2H3