2-azanyl-5-(4-bromanyl-3-nitro-phenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-(4-bromanyl-3-nitro-phenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-(4-bromo-3-nitro-phenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[(4-bromo-3-nitrophenyl)thio]-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-5-(4-bromo-3-nitrophenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(4-bromo-3-nitro-phenyl)thio]-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C13H10BrN5O3S MolecularWeight: 396.2192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)