1-(2-piperidin-1-ylethylamino)-1-(7H-purin-6-ylamino)ethanesulfonic acid

Systemtic Name: 1-(2-piperidin-1-ylethylamino)-1-(7H-purin-6-ylamino)ethanesulfonic acid Openeye Name: 1-[2-(1-piperidyl)ethylamino]-1-(7H-purin-6-ylamino)ethanesulfonic acid CAS Name: 1-[2-(1-piperidinyl)ethylamino]-1-(7H-purin-6-ylamino)ethanesulfonic acid IUPAC Name: 1-(2-piperidin-1-ylethylamino)-1-(7H-purin-6-ylamino)ethanesulfonic acid Traditional Name: 1-(2-piperidinoethylamino)-1-(7H-purin-6-ylamino)ethanesulfonic acid Formula: C14H23N7O3S MolecularWeight: 369.44252

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCN1CCCCC1)(NC2=NC=NC3=C2NC=N3)S(=O)(=O)O

Isomeric SMILES

CC(NCCN1CCCCC1)(NC2=NC=NC3=C2NC=N3)S(=O)(=O)O

InChI

InChI=1S/C14H23N7O3S/c1-14(25(22,23)24,19-5-8-21-6-3-2-4-7-21)20-13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,2-8H2,1H3,(H,22,23,24)(H2,15,16,17,18,20)