[2-[bis(azanyl)methylideneamino]ethylamino] isoquinoline-5-sulfinate

Systemtic Name: [2-[bis(azanyl)methylideneamino]ethylamino] isoquinoline-5-sulfinate Openeye Name: (2-guanidinoethylamino) isoquinoline-5-sulfinate CAS Name: 5-isoquinolinesulfinic acid [2-(diaminomethylideneamino)ethylamino] ester IUPAC Name: [2-(diaminomethylideneamino)ethylamino] isoquinoline-5-sulfinate Traditional Name: isoquinoline-5-sulfinic acid (2-guanidinoethylamino) ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)ONCCN=C(N)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)ONCCN=C(N)N

InChI

InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-19-20(18)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)