9-(phenylmethyl)-6-[(E)-2-piperidin-1-ylethenyl]purine

Systemtic Name: 9-(phenylmethyl)-6-[(E)-2-piperidin-1-ylethenyl]purine Openeye Name: 9-benzyl-6-[(E)-2-(1-piperidyl)vinyl]purine CAS Name: 9-(phenylmethyl)-6-[(E)-2-(1-piperidinyl)ethenyl]purine IUPAC Name: 9-benzyl-6-[(E)-2-piperidin-1-ylethenyl]purine Traditional Name: 9-benzyl-6-[(E)-2-piperidinovinyl]purine Formula: C19H21N5 MolecularWeight: 319.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=CC2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)/C=C/C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5/c1-3-7-16(8-4-1)13-24-15-22-18-17(20-14-21-19(18)24)9-12-23-10-5-2-6-11-23/h1,3-4,7-9,12,14-15H,2,5-6,10-11,13H2/b12-9+