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

Systemtic Name: 6-[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-yl]-7H-purine Openeye Name: 6-[4-(4-phenyltriazol-1-yl)-1-piperidyl]-7H-purine CAS Name: 6-[4-(4-phenyl-1-triazolyl)-1-piperidinyl]-7H-purine IUPAC Name: 6-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]-7H-purine Traditional Name: 6-[4-(4-phenyltriazol-1-yl)piperidino]-7H-purine Formula: C18H18N8 MolecularWeight: 346.38912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N8/c1-2-4-13(5-3-1)15-10-26(24-23-15)14-6-8-25(9-7-14)18-16-17(20-11-19-16)21-12-22-18/h1-5,10-12,14H,6-9H2,(H,19,20,21,22)