6-[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-yl]-7H-purine

Systemtic Name: 6-[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-yl]-7H-purine Openeye Name: 6-[4-[4-(3-thienyl)triazol-1-yl]-1-piperidyl]-7H-purine CAS Name: 6-[4-[4-(3-thiophenyl)-1-triazolyl]-1-piperidinyl]-7H-purine IUPAC Name: 6-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]-7H-purine Traditional Name: 6-[4-[4-(3-thienyl)triazol-1-yl]piperidino]-7H-purine Formula: C16H16N8S MolecularWeight: 352.41684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)C3=CSC=C3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)C3=CSC=C3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C16H16N8S/c1-4-23(16-14-15(18-9-17-14)19-10-20-16)5-2-12(1)24-7-13(21-22-24)11-3-6-25-8-11/h3,6-10,12H,1-2,4-5H2,(H,17,18,19,20)