2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-4-azanyl-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-ethanamide

Systemtic Name: 2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-4-azanyl-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-ethanamide Openeye Name: 2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-4-amino-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-acetamide CAS Name: 2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-4-amino-7-pyrrolo[2,3-d]pyrimidinyl]-N-methylacetamide IUPAC Name: 2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-4-aminopyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide Traditional Name: 2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-4-amino-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-acetamide Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CC(=O)NC

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CC(=O)NC

InChI

InChI=1S/C18H17N7O2S/c1-9(26)23-18-24-12-4-3-10(5-13(12)28-18)11-6-25(7-14(27)20-2)17-15(11)16(19)21-8-22-17/h3-6,8H,7H2,1-2H3,(H,20,27)(H2,19,21,22)(H,23,24,26)