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

Systemtic Name: 1,3-diethyl-7-(3-methylbutyl)-6-oxidanyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 1,3-diethyl-6-hydroxy-7-isopentyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 1,3-diethyl-6-hydroxy-7-(3-methylbutyl)-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 1,3-diethyl-6-hydroxy-7-(3-methylbutyl)-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 1,3-diethyl-6-hydroxy-7-isoamyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=C(C(=O)N(C3=N2)C4=CC=CC=C4)CCC(C)C)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=C(C(=O)N(C3=N2)C4=CC=CC=C4)CCC(C)C)O

InChI

InChI=1S/C23H27N5O4/c1-5-25-18-17(21(31)26(6-2)23(25)32)28-20(30)16(13-12-14(3)4)19(29)27(22(28)24-18)15-10-8-7-9-11-15/h7-11,14,30H,5-6,12-13H2,1-4H3