N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]isoquinoline-5-sulfonamide Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1CNC(=NC1)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C15H19N5O2S/c21-23(22,20-10-9-19-15-17-6-2-7-18-15)14-4-1-3-12-11-16-8-5-13(12)14/h1,3-5,8,11,20H,2,6-7,9-10H2,(H2,17,18,19)