methyl 3-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3CCOCO3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC[C@H]3CCOCO3

InChI

InChI=1S/C19H24N2O5S/c1-3-4-8-21-17(22)15-6-5-13(18(23)24-2)10-16(15)20-19(21)27-11-14-7-9-25-12-26-14/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/t14-/m1/s1