3,6-bis(azanyl)-2-(4-ethylpiperazin-1-yl)carbonyl-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(4-ethylpiperazin-1-yl)carbonyl-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-ethylpiperazine-1-carbonyl)-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-ethyl-1-piperazinyl)-oxomethyl]-4-phenyl-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3,6-diamino-2-(4-ethylpiperazine-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-ethylpiperazine-1-carbonyl)-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N

InChI

InChI=1S/C21H22N6OS/c1-2-26-8-10-27(11-9-26)21(28)18-17(23)16-15(13-6-4-3-5-7-13)14(12-22)19(24)25-20(16)29-18/h3-7H,2,8-11,23H2,1H3,(H2,24,25)