[2-acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate hydrochloride

Systemtic Name: [2-acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate hydrochloride Openeye Name: N-(4-carbamimidoylsulfanyl-5-isopentyl-6-methyl-pyrimidin-2-yl)acetamide hydrochloride CAS Name: carbamimidothioic acid [2-acetamido-6-methyl-5-(3-methylbutyl)-4-pyrimidinyl] ester hydrochloride IUPAC Name: [2-acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate hydrochloride Traditional Name: N-[4-(amidinothio)-5-isoamyl-6-methyl-pyrimidin-2-yl]acetamide hydrochloride Formula: C13H22ClN5OS MolecularWeight: 331.86468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC(C)C.Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC(C)C.Cl

InChI

InChI=1S/C13H21N5OS.ClH/c1-7(2)5-6-10-8(3)16-13(17-9(4)19)18-11(10)20-12(14)15;/h7H,5-6H2,1-4H3,(H3,14,15)(H,16,17,18,19);1H