(2Z)-5-azanyl-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (2Z)-5-azanyl-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (2Z)-5-amino-2-[(3,4-dimethoxyphenyl)methylene]-6-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (2Z)-5-amino-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (2Z)-5-amino-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (2Z)-5-amino-6-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-veratrylidene-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C(=C4)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C(=C4)O)N)OC

InChI

InChI=1S/C21H18N4O5S/c1-29-16-6-4-12(9-17(16)30-2)10-18-24-25-19(22)13(20(28)23-21(25)31-18)7-11-3-5-14(26)15(27)8-11/h3-10,24,27H,22H2,1-2H3/b11-7?,18-10-