3,7-bis(2-methylpropyl)-8-pyridin-3-yl-purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-8-pyridin-3-yl-purine-2,6-dione Openeye Name: 3,7-diisobutyl-8-(3-pyridyl)purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-8-(3-pyridinyl)purine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)-8-pyridin-3-ylpurine-2,6-dione Traditional Name: 3,7-diisobutyl-8-(3-pyridyl)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C18H23N5O2/c1-11(2)9-22-14-16(20-15(22)13-6-5-7-19-8-13)23(10-12(3)4)18(25)21-17(14)24/h5-8,11-12H,9-10H2,1-4H3,(H,21,24,25)