7-butyl-9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-oxidanyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 7-butyl-9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-oxidanyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-butyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-butyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-butyl-8-hydroxy-1,3-dimethyl-9-p-anisyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=C(C=C4)OC)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C22H25N5O5/c1-5-6-7-15-18(28)26(12-13-8-10-14(32-4)11-9-13)21-23-17-16(27(21)19(15)29)20(30)25(3)22(31)24(17)2/h8-11,28H,5-7,12H2,1-4H3