3-methyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C18H15N7S MolecularWeight: 361.4236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC=NC3=C2C=NN3C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC=NC3=C2C=NN3C)C4=CC=CC=C4

InChI

InChI=1S/C18H15N7S/c1-12-14(8-19)16(25(23-12)13-6-4-3-5-7-13)10-26-18-15-9-22-24(2)17(15)20-11-21-18/h3-7,9,11H,10H2,1-2H3