4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C17H15N7S MolecularWeight: 349.4129

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C17H15N7S/c1-23-15-13(9-20-23)16(19-10-18-15)25-17-22-21-14(11-7-8-11)24(17)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3