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

Systemtic Name: methyl 2-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H26N4O4S/c1-3-4-5-8-13-29-23(31)18-9-6-7-10-19(18)27-25(29)34-15-21-26-20-14-16(24(32)33-2)11-12-17(20)22(30)28-21/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3,(H,26,28,30)