2-(6-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-ethyl-propanamide

Systemtic Name: 2-(6-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-ethyl-propanamide Openeye Name: 2-(6-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-ethyl-propanamide CAS Name: 2-[(6-amino-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-ethylpropanamide IUPAC Name: 2-(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-ethylpropanamide Traditional Name: 2-[(6-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-ethyl-propionamide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)N

Isomeric SMILES

CCNC(=O)C(C)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)N

InChI

InChI=1S/C16H18N6OS/c1-3-18-14(23)10(2)24-15-12-9-19-22(11-7-5-4-6-8-11)13(12)20-16(17)21-15/h4-10H,3H2,1-2H3,(H,18,23)(H2,17,20,21)