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

Systemtic Name: 1,3-diethyl-8-oxidanyl-7-phenyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-diethyl-8-hydroxy-7-phenyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-phenylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O4/c1-3-27-20-19(23(33)28(4-2)25(27)34)30-22(32)18(17-13-9-6-10-14-17)21(31)29(24(30)26-20)15-16-11-7-5-8-12-16/h5-14,31H,3-4,15H2,1-2H3