2-(3-azaniumylidene-3-azanyl-propyl)sulfanylpyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylidene-3-azanyl-propyl)sulfanylpyrimidin-4-olate Openeye Name: 2-(3-amino-3-azaniumylidene-propyl)sulfanylpyrimidin-4-olate CAS Name: 2-[(3-amino-3-iminiopropyl)thio]-4-pyrimidinolate IUPAC Name: 2-(3-amino-3-azaniumylidenepropyl)sulfanylpyrimidin-4-olate Traditional Name: 2-[(3-amino-3-iminio-propyl)thio]pyrimidin-4-olate Formula: C7H10N4OS MolecularWeight: 198.2455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SCCC(=[NH2+])N

Isomeric SMILES

C1=CN=C(N=C1[O-])SCCC(=[NH2+])N

InChI

InChI=1S/C7H10N4OS/c8-5(9)2-4-13-7-10-3-1-6(12)11-7/h1,3H,2,4H2,(H3,8,9)(H,10,11,12)