(7S)-1-methyl-7-oxidanyl-9-phenyl-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: (7S)-1-methyl-7-oxidanyl-9-phenyl-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: (7S)-3-benzyl-7-hydroxy-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: (7S)-7-hydroxy-1-methyl-9-phenyl-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: (7S)-3-benzyl-7-hydroxy-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: (7S)-3-benzyl-7-hydroxy-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N4CC(CN(C4=N2)C5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N4C[C@H](CN(C4=N2)C5=CC=CC=C5)O

InChI

InChI=1S/C22H21N5O3/c1-24-19-18(20(29)27(22(24)30)12-15-8-4-2-5-9-15)26-14-17(28)13-25(21(26)23-19)16-10-6-3-7-11-16/h2-11,17,28H,12-14H2,1H3/t17-/m0/s1