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

Systemtic Name: 8-chloranyl-7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-bis(4-pyridylmethyl)purine-2,6-dione CAS Name: 8-chloro-7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-bis(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-bis(4-pyridylmethyl)xanthine Formula: C24H19ClN6O2 MolecularWeight: 458.89966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=CC=NC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=CC=NC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C24H19ClN6O2/c25-23-28-21-20(29(23)14-17-4-2-1-3-5-17)22(32)31(16-19-8-12-27-13-9-19)24(33)30(21)15-18-6-10-26-11-7-18/h1-13H,14-16H2