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

Systemtic Name: 7-butyl-9-[(4-methoxyphenyl)methyl]-8-oxidanyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-butyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-butyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-butyl-8-hydroxy-9-p-anisyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCC)CCC)CC4=CC=C(C=C4)OC)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCC)CCC)CC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C26H33N5O5/c1-5-8-9-19-22(32)30(16-17-10-12-18(36-4)13-11-17)25-27-21-20(31(25)23(19)33)24(34)29(15-7-3)26(35)28(21)14-6-2/h10-13,32H,5-9,14-16H2,1-4H3