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

Systemtic Name: 2-azanyl-6-methyl-5-(4-nitrophenyl)sulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-6-methyl-5-(4-nitrophenyl)sulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-6-methyl-5-[(4-nitrophenyl)thio]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-6-methyl-5-(4-nitrophenyl)sulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-6-methyl-5-[(4-nitrophenyl)thio]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)