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

Systemtic Name: 2-azanyl-6-[2-(4-nitrophenyl)sulfanylethyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-6-[2-(4-nitrophenyl)sulfanylethyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-6-[2-[(4-nitrophenyl)thio]ethyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-6-[2-(4-nitrophenyl)sulfanylethyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-6-[2-[(4-nitrophenyl)thio]ethyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC3=C(N2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC3=C(N2)NC(=NC3=O)N

InChI

InChI=1S/C14H13N5O3S/c15-14-17-12-11(13(20)18-14)7-8(16-12)5-6-23-10-3-1-9(2-4-10)19(21)22/h1-4,7H,5-6H2,(H4,15,16,17,18,20)