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

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-butyl-propanamide Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-butyl-propanamide CAS Name: 2-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]-N-butylpropanamide IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-butylpropanamide Traditional Name: 2-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-butyl-propionamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

Isomeric SMILES

CCCCNC(=O)C(C)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

InChI

InChI=1S/C18H22N6OS/c1-3-4-10-20-17(25)12(2)26-18-22-15(19)14-11-21-24(16(14)23-18)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,25)(H2,19,22,23)