2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C23H20N6OS2 MolecularWeight: 460.5745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CSC4=NC=C(C(=N4)N)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CSC4=NC=C(C(=N4)N)C#N)C

InChI

InChI=1S/C23H20N6OS2/c1-14-8-9-18-20(15(14)2)27-23(32-18)29(12-16-6-4-3-5-7-16)19(30)13-31-22-26-11-17(10-24)21(25)28-22/h3-9,11H,12-13H2,1-2H3,(H2,25,26,28)