7-methyl-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 7-methyl-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 7-methyl-3-(phenylmethyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-(4-pyridyl)xanthine Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H15N5O2/c1-22-14-16(20-15(22)13-7-9-19-10-8-13)23(18(25)21-17(14)24)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,24,25)