3-methylsulfanyl-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methylsulfanyl-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methylsulfanyl-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-(methylthio)-1,5-diphenyl-6-(propylamino)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-methylsulfanyl-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(methylthio)-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SC)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SC)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-3-14-22-21-23-18-17(20(27)25(21)15-10-6-4-7-11-15)19(28-2)24-26(18)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,22,23)