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

Systemtic Name: 1,3-dibutyl-7-heptyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-7-heptyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-7-heptyl-8-hydroxy-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-7-heptyl-8-hydroxypurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-7-heptyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C30H41N5O4 MolecularWeight: 535.67764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

InChI

InChI=1S/C30H41N5O4/c1-4-7-10-11-15-18-23-26(36)34(21-22-16-13-12-14-17-22)29-31-25-24(35(29)27(23)37)28(38)33(20-9-6-3)30(39)32(25)19-8-5-2/h12-14,16-17,36H,4-11,15,18-21H2,1-3H3