methyl 3-(furan-2-ylmethyl)-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[[2-keto-2-(2-methylpiperidino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C23H25N3O5S/c1-15-6-3-4-10-25(15)20(27)14-32-23-24-19-12-16(22(29)30-2)8-9-18(19)21(28)26(23)13-17-7-5-11-31-17/h5,7-9,11-12,15H,3-4,6,10,13-14H2,1-2H3