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

Systemtic Name: 8-oxidanyl-7-phenyl-9-(phenylmethyl)-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-7-phenyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-7-phenyl-9-(phenylmethyl)-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-7-phenyl-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-7-phenyl-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-3-15-29-22-21(25(35)30(16-4-2)27(29)36)32-24(34)20(19-13-9-6-10-14-19)23(33)31(26(32)28-22)17-18-11-7-5-8-12-18/h5-14,33H,3-4,15-17H2,1-2H3