methyl 2-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C24H22N4O4S/c1-32-23(31)14-10-11-16-19(12-14)25-20(27-21(16)29)13-33-24-26-18-9-5-4-8-17(18)22(30)28(24)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H,25,27,29)