2-[(3S)-2-azanylidene-4-oxidanylidene-thiolan-3-yl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(3S)-2-azanylidene-4-oxidanylidene-thiolan-3-yl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(3S)-2-imino-4-oxo-tetrahydrothiophen-3-yl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[(3S)-2-imino-4-oxo-3-thiolanyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(3S)-2-imino-4-oxothiolan-3-yl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(3S)-2-imino-4-keto-tetrahydrothiophen-3-yl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C3C(=O)CSC3=N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)[C@H]3C(=O)CSC3=N)OC

InChI

InChI=1S/C14H13N3O4S/c1-20-9-3-6-7(4-10(9)21-2)16-13(17-14(6)19)11-8(18)5-22-12(11)15/h3-4,11,15H,5H2,1-2H3,(H,16,17,19)/t11-/m0/s1