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

Systemtic Name: 1,3-diethyl-8-oxidanyl-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-pentyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-diethyl-8-hydroxy-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-pentylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-9-benzyl-1,3-diethyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H29N5O4/c1-4-7-9-14-17-20(30)28(15-16-12-10-8-11-13-16)23-25-19-18(29(23)21(17)31)22(32)27(6-3)24(33)26(19)5-2/h8,10-13,30H,4-7,9,14-15H2,1-3H3