7-(2-hydroxyethyl)-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-7-(2-hydroxyethyl)-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-7-(2-hydroxyethyl)-1,3-dimethyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-7-(2-hydroxyethyl)-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-7-(2-hydroxyethyl)-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)CCO)C

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)CCO)C

InChI

InChI=1S/C19H21N5O4/c1-21-11-22(2)18(28)14-15(21)20-19-23(10-12-6-4-3-5-7-12)16(26)13(8-9-25)17(27)24(14)19/h3-7,25-26H,8-11H2,1-2H3