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

Systemtic Name: 9-[(4-methoxyphenyl)methyl]-8-oxidanyl-7-pentyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-9-[(4-methoxyphenyl)methyl]-7-pentyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-9-[(4-methoxyphenyl)methyl]-7-pentyl-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-9-[(4-methoxyphenyl)methyl]-7-pentyl-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-8-hydroxy-9-p-anisyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCC)CCC)CC4=CC=C(C=C4)OC)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCC)CCC)CC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C27H35N5O5/c1-5-8-9-10-20-23(33)31(17-18-11-13-19(37-4)14-12-18)26-28-22-21(32(26)24(20)34)25(35)30(16-7-3)27(36)29(22)15-6-2/h11-14,33H,5-10,15-17H2,1-4H3