4,6-bis(azanyl)-3-(6-iodanyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-3-(6-iodanyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 4,6-diamino-3-(6-iodo-2-methyl-4-oxo-1H-quinolin-3-yl)thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 4,6-diamino-3-(6-iodo-2-methyl-4-oxo-1H-quinolin-3-yl)-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 4,6-diamino-3-(6-iodo-2-methyl-4-oxo-1H-quinolin-3-yl)thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 4,6-diamino-3-(6-iodo-4-keto-2-methyl-1H-quinolin-3-yl)thieno[2,3-b]pyridine-5-carbonitrile Formula: C18H12IN5OS MolecularWeight: 473.29025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)I)C3=CSC4=C3C(=C(C(=N4)N)C#N)N

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)I)C3=CSC4=C3C(=C(C(=N4)N)C#N)N

InChI

InChI=1S/C18H12IN5OS/c1-7-13(16(25)9-4-8(19)2-3-12(9)23-7)11-6-26-18-14(11)15(21)10(5-20)17(22)24-18/h2-4,6H,1H3,(H,23,25)(H4,21,22,24)