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

Systemtic Name: 1,3-dibutyl-8-oxidanyl-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-pentyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-pentylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-9-benzyl-1,3-dibutyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

InChI

InChI=1S/C28H37N5O4/c1-4-7-11-16-21-24(34)32(19-20-14-12-10-13-15-20)27-29-23-22(33(27)25(21)35)26(36)31(18-9-6-3)28(37)30(23)17-8-5-2/h10,12-15,34H,4-9,11,16-19H2,1-3H3