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

Systemtic Name: 1,3-dibutyl-8-oxidanyl-9-(phenylmethyl)-7-propan-2-yl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-isopropyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-9-(phenylmethyl)-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-isopropyl-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)CC4=CC=CC=C4)O)C(C)C

Isomeric SMILES

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

InChI

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