1-(3-methyl-4-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-2-yl)-4-(phenylmethyl)phthalazine

Systemtic Name: 1-(3-methyl-4-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-2-yl)-4-(phenylmethyl)phthalazine Openeye Name: 1-benzyl-4-(3-methyl-4-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-2-yl)phthalazine CAS Name: 1-[3-methyl-4-(methylthio)-2-pyrazolo[3,4-d]pyrimidinyl]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-(3-methyl-4-methylsulfanylpyrazolo[3,4-d]pyrimidin-2-yl)phthalazine Traditional Name: 1-benzyl-4-[3-methyl-4-(methylthio)pyrazolo[3,4-d]pyrimidin-2-yl]phthalazine Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)N=CN=C2SC

Isomeric SMILES

CC1=C2C(=NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)N=CN=C2SC

InChI

InChI=1S/C22H18N6S/c1-14-19-20(23-13-24-22(19)29-2)27-28(14)21-17-11-7-6-10-16(17)18(25-26-21)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3