3,6-bis(azanyl)-2-(3,4-dimethoxyphenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(3,4-dimethoxyphenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(3,4-dimethoxybenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(3,4-dimethoxyphenyl)-oxomethyl]-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(3,4-dimethoxybenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-veratroyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C17H15N4O3S+ MolecularWeight: 355.391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)OC

InChI

InChI=1S/C17H14N4O3S/c1-23-11-4-3-8(6-12(11)24-2)14(22)15-13(19)10-5-9(7-18)16(20)21-17(10)25-15/h3-6H,19H2,1-2H3,(H2,20,21)/p+1