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

Systemtic Name: 3,6-bis(azanyl)-2-(4-methylpiperazin-1-yl)carbonyl-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-methylpiperazine-1-carbonyl)-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-methyl-1-piperazinyl)-oxomethyl]-4-phenyl-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3,6-diamino-2-(4-methylpiperazine-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-methylpiperazine-1-carbonyl)-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N

InChI

InChI=1S/C20H20N6OS/c1-25-7-9-26(10-8-25)20(27)17-16(22)15-14(12-5-3-2-4-6-12)13(11-21)18(23)24-19(15)28-17/h2-6H,7-10,22H2,1H3,(H2,23,24)