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

Systemtic Name: 1,3-dibutyl-8-oxidanyl-7-(phenylmethyl)-9-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-benzyl-1,3-dibutyl-8-hydroxy-9-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-(phenylmethyl)-9-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-benzyl-1,3-dibutyl-8-hydroxy-9-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-benzyl-1,3-dibutyl-8-hydroxy-9-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CCC)O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CCC)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O4/c1-4-7-15-28-21-20(24(34)30(26(28)35)16-8-5-2)31-23(33)19(17-18-12-10-9-11-13-18)22(32)29(14-6-3)25(31)27-21/h9-13,32H,4-8,14-17H2,1-3H3