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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-[(4-prop-2-enoxyphenyl)methyl]-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-[(4-allyloxyphenyl)methyl]-8-hydroxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-9-[(4-prop-2-enoxyphenyl)methyl]-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-9-[(4-prop-2-enoxyphenyl)methyl]-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-(4-allyloxybenzyl)-8-hydroxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H25N5O5 MolecularWeight: 451.4751

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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)OCC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5/c1-5-7-16-19(29)27(13-14-8-10-15(11-9-14)33-12-6-2)22-24-18-17(28(22)20(16)30)21(31)26(4)23(32)25(18)3/h6,8-11,29H,2,5,7,12-13H2,1,3-4H3