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

Systemtic Name: methyl 2-[[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC[C@@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N4O4S/c1-4-13(2)27-21(29)16-7-5-6-8-17(16)25-23(27)32-12-19-24-18-11-14(22(30)31-3)9-10-15(18)20(28)26-19/h5-11,13H,4,12H2,1-3H3,(H,24,26,28)/t13-/m1/s1