methyl 3-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-[cyclopentyl(2-furylmethyl)amino]ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-[cyclopentyl(2-furanylmethyl)amino]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-[cyclopentyl(2-furfuryl)amino]ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCN(CC3=CC=CO3)C4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCN(CC3=CC=CO3)C4CCCC4

InChI

InChI=1S/C22H25N3O4S/c1-28-21(27)15-8-9-18-19(13-15)23-22(30)25(20(18)26)11-10-24(16-5-2-3-6-16)14-17-7-4-12-29-17/h4,7-9,12-13,16H,2-3,5-6,10-11,14H2,1H3,(H,23,30)