2-azanyl-6-methyl-5-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-6-methyl-5-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-benzylsulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-6-methyl-5-(phenylmethylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-5-benzylsulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-(benzylthio)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)NC(=NC2=O)N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)NC(=NC2=O)N)SCC3=CC=CC=C3

InChI

InChI=1S/C14H14N4OS/c1-8-11(20-7-9-5-3-2-4-6-9)10-12(16-8)17-14(15)18-13(10)19/h2-6H,7H2,1H3,(H4,15,16,17,18,19)