7-ethyl-3-methyl-1-(2-methylpropyl)-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 7-ethyl-3-methyl-1-(2-methylpropyl)-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-7-ethyl-8-hydroxy-1-isobutyl-3-methyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-ethyl-8-hydroxy-3-methyl-1-(2-methylpropyl)-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-7-ethyl-8-hydroxy-3-methyl-1-(2-methylpropyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-7-ethyl-8-hydroxy-1-isobutyl-3-methyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N5O4/c1-5-15-18(28)26(12-14-9-7-6-8-10-14)21-23-17-16(27(21)19(15)29)20(30)24(4)22(31)25(17)11-13(2)3/h6-10,13,28H,5,11-12H2,1-4H3