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

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(1-adamantylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(1-adamantylthio)methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(1-adamantylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(1-adamantylthio)methyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3S/c23-18-15-2-1-14(19(24)25)6-16(15)21-17(22-18)10-26-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13H,3-5,7-10H2,(H,24,25)(H,21,22,23)/p-1