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

Systemtic Name: 2-azanyl-6-ethyl-5-(4-nitrophenyl)sulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-6-ethyl-5-(4-nitrophenyl)sulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-6-ethyl-5-[(4-nitrophenyl)thio]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-6-ethyl-5-(4-nitrophenyl)sulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-6-ethyl-5-[(4-nitrophenyl)thio]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-2-9-11(10-12(16-9)17-14(15)18-13(10)20)23-8-5-3-7(4-6-8)19(21)22/h3-6H,2H2,1H3,(H4,15,16,17,18,20)