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

Systemtic Name: 3-(phenylmethyl)-7-propyl-8-pyridin-3-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-propyl-8-(3-pyridyl)purine-2,6-dione CAS Name: 3-(phenylmethyl)-7-propyl-8-(3-pyridinyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-propyl-8-pyridin-3-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-propyl-8-(3-pyridyl)xanthine Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2/c1-2-11-24-16-18(22-17(24)15-9-6-10-21-12-15)25(20(27)23-19(16)26)13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,23,26,27)