4-(dimethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide

Systemtic Name: 4-(dimethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Openeye Name: 4-(dimethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide CAS Name: 4-(dimethylamino)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butanamide IUPAC Name: 4-(dimethylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Traditional Name: 4-(dimethylamino)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butyramide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

CN(C)CCCC(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C18H22N6OS/c1-24(2)8-4-7-16(25)22-14-6-3-5-13(9-14)11-26-18-15-10-21-23-17(15)19-12-20-18/h3,5-6,9-10,12H,4,7-8,11H2,1-2H3,(H,22,25)(H,19,20,21,23)