methyl 2-(1-adamantylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1-adamantylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(1-adamantylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(1-adamantylthio)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-adamantylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(1-adamantylthio)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2O3S/c1-26-20(25)15-2-3-16-17(7-15)22-18(23-19(16)24)11-27-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,22,23,24)