3-[4-azanyl-6-(4-tert-butylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-(4-tert-butylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-(4-tert-butylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(4-tert-butyl-1-piperazinyl)-oxomethyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-(4-tert-butylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-(4-tert-butylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C(=O)C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C(=O)C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C22H24N6OS/c1-22(2,3)28-9-7-27(8-10-28)21(29)17-12-16-18(24)25-19(26-20(16)30-17)15-6-4-5-14(11-15)13-23/h4-6,11-12H,7-10H2,1-3H3,(H2,24,25,26)