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

Systemtic Name: (7S)-9-(4-bromophenyl)-1-methyl-7-oxidanyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: (7S)-9-(4-bromophenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: (7S)-9-(4-bromophenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: (7S)-9-(4-bromophenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: (7S)-9-(4-bromophenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C15H14BrN5O3 MolecularWeight: 392.20736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3CC(CN(C3=N2)C4=CC=C(C=C4)Br)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C[C@H](CN(C3=N2)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C15H14BrN5O3/c1-19-12-11(13(23)18-15(19)24)21-7-10(22)6-20(14(21)17-12)9-4-2-8(16)3-5-9/h2-5,10,22H,6-7H2,1H3,(H,18,23,24)/t10-/m0/s1