2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazino]isonicotinonitrile Formula: C22H22N6OS MolecularWeight: 418.51468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C22H22N6OS/c1-13-18-14(2)25-20(16-3-4-16)26-21(18)30-19(13)22(29)28-9-7-27(8-10-28)17-11-15(12-23)5-6-24-17/h5-6,11,16H,3-4,7-10H2,1-2H3