1,3-dimethyl-8-oxidanyl-7-phenyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-phenyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-7-phenyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-7-phenyl-9-(2-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-7-phenyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-7-phenyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=N4)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=N4)O)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O4/c1-25-17-16(20(31)26(2)22(25)32)28-19(30)15(13-8-4-3-5-9-13)18(29)27(21(28)24-17)12-14-10-6-7-11-23-14/h3-11,29H,12H2,1-2H3