N-[3-[bis(azanyl)methylideneamino]propyl]isoquinoline-3-carboxamide; sulfurous acid

Systemtic Name: N-[3-[bis(azanyl)methylideneamino]propyl]isoquinoline-3-carboxamide; sulfurous acid Openeye Name: N-(3-guanidinopropyl)isoquinoline-3-carboxamide; sulfurous acid CAS Name: N-[3-(diaminomethylideneamino)propyl]-3-isoquinolinecarboxamide; sulfurous acid IUPAC Name: N-[3-(diaminomethylideneamino)propyl]isoquinoline-3-carboxamide; sulfurous acid Traditional Name: N-(3-guanidinopropyl)isoquinoline-3-carboxamide; sulfurous acid Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NCCCN=C(N)N.OS(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NCCCN=C(N)N.OS(=O)O

InChI

InChI=1S/C14H17N5O.H2O3S/c15-14(16)18-7-3-6-17-13(20)12-8-10-4-1-2-5-11(10)9-19-12;1-4(2)3/h1-2,4-5,8-9H,3,6-7H2,(H,17,20)(H4,15,16,18);(H2,1,2,3)