1,3-dibutyl-8-oxidanyl-9-phenethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 1,3-dibutyl-8-oxidanyl-9-phenethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1,3-dibutyl-8-hydroxy-9-phenethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-9-phenethyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 1,3-dibutyl-8-hydroxy-9-phenethyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 1,3-dibutyl-8-hydroxy-9-phenethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CCC4=CC=CC=C4)O)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CCC4=CC=CC=C4)O)CCC

InChI

InChI=1S/C27H35N5O4/c1-4-7-16-29-22-21(25(35)31(27(29)36)17-8-5-2)32-24(34)20(12-6-3)23(33)30(26(32)28-22)18-15-19-13-10-9-11-14-19/h9-11,13-14,33H,4-8,12,15-18H2,1-3H3