7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis(4-pyridylmethyl)purine-2,6-dione CAS Name: 7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-bis(4-pyridylmethyl)xanthine Formula: C24H20N6O2 MolecularWeight: 424.4546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=NC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=NC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C24H20N6O2/c31-23-21-22(27-17-28(21)14-18-4-2-1-3-5-18)29(15-19-6-10-25-11-7-19)24(32)30(23)16-20-8-12-26-13-9-20/h1-13,17H,14-16H2