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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-pentyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-pentylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-9-benzyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N5O4/c1-4-5-7-12-15-18(28)26(13-14-10-8-6-9-11-14)21-23-17-16(27(21)19(15)29)20(30)25(3)22(31)24(17)2/h6,8-11,28H,4-5,7,12-13H2,1-3H3