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

Systemtic Name: 9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-oxidanyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-9-p-anisyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=C(C=C4)OC)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C21H23N5O5/c1-5-6-14-17(27)25(11-12-7-9-13(31-4)10-8-12)20-22-16-15(26(20)18(14)28)19(29)24(3)21(30)23(16)2/h7-10,27H,5-6,11H2,1-4H3