2,5-bis(azanyl)-4-pyridin-3-yl-pyrido[2,3-b][1,5]benzothiazepine-3-carbonitrile

Systemtic Name: 2,5-bis(azanyl)-4-pyridin-3-yl-pyrido[2,3-b][1,5]benzothiazepine-3-carbonitrile Openeye Name: 2,5-diamino-4-(3-pyridyl)pyrido[2,3-b][1,5]benzothiazepine-3-carbonitrile CAS Name: 2,5-diamino-4-(3-pyridinyl)-3-pyrido[2,3-b][1,5]benzothiazepinecarbonitrile IUPAC Name: 2,5-diamino-4-pyridin-3-ylpyrido[2,3-b][1,5]benzothiazepine-3-carbonitrile Traditional Name: 2,5-diamino-4-(3-pyridyl)pyrido[2,3-b][1,5]benzothiazepine-3-carbonitrile Formula: C18H12N6S MolecularWeight: 344.39308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C3=C(S2)N=C(C(=C3C4=CN=CC=C4)C#N)N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C3=C(S2)N=C(C(=C3C4=CN=CC=C4)C#N)N)N

InChI

InChI=1S/C18H12N6S/c19-8-11-14(10-4-3-7-22-9-10)15-17(21)23-12-5-1-2-6-13(12)25-18(15)24-16(11)20/h1-7,9H,(H2,20,24)(H2,21,23)