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

Systemtic Name: 2-azanyl-5-(3,5-dinitrophenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-(3,5-dinitrophenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[(3,5-dinitrophenyl)thio]-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-5-(3,5-dinitrophenyl)sulfanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(3,5-dinitrophenyl)thio]-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C13H10N6O5S MolecularWeight: 362.3207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20)