4,5-bis(azanyl)-2-methyl-3-[(2-piperazin-1-ylethylamino)methyl]pentane-2-thiol

Systemtic Name: 4,5-bis(azanyl)-2-methyl-3-[(2-piperazin-1-ylethylamino)methyl]pentane-2-thiol Openeye Name: 4,5-diamino-2-methyl-3-[(2-piperazin-1-ylethylamino)methyl]pentane-2-thiol CAS Name: 4,5-diamino-2-methyl-3-[[2-(1-piperazinyl)ethylamino]methyl]-2-pentanethiol IUPAC Name: 4,5-diamino-2-methyl-3-[(2-piperazin-1-ylethylamino)methyl]pentane-2-thiol Traditional Name: 4,5-diamino-2-methyl-3-[(2-piperazinoethylamino)methyl]pentane-2-thiol Formula: C13H31N5S MolecularWeight: 289.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CNCCN1CCNCC1)C(CN)N)S

Isomeric SMILES

CC(C)(C(CNCCN1CCNCC1)C(CN)N)S

InChI

InChI=1S/C13H31N5S/c1-13(2,19)11(12(15)9-14)10-17-5-8-18-6-3-16-4-7-18/h11-12,16-17,19H,3-10,14-15H2,1-2H3