[4-[(5-azanylidene-7-oxidanylidene-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate

Systemtic Name: [4-[(5-azanylidene-7-oxidanylidene-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[[5-imino-7-oxo-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[[5-imino-7-oxo-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[[5-imino-7-keto-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C27H21N5O6S MolecularWeight: 543.55054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC)OC

InChI

InChI=1S/C27H21N5O6S/c1-35-19-9-7-16(13-22(19)37-3)26(34)38-20-8-6-15(12-21(20)36-2)11-18-23(28)32-27(30-24(18)33)39-25(31-32)17-5-4-10-29-14-17/h4-14,28H,1-3H3