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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CC=C(C=C4)OC)O)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CC=C(C=C4)OC)O)C

InChI

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