[2-[[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] carbamimidothioate hydrochloride

Systemtic Name: [2-[[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] carbamimidothioate hydrochloride Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-carbamimidoylsulfanyl-acetamide hydrochloride CAS Name: carbamimidothioic acid [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-butylamino]-2-oxoethyl] ester hydrochloride IUPAC Name: [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] carbamimidothioate hydrochloride Traditional Name: 2-(amidinothio)-N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-acetamide hydrochloride Formula: C15H27ClN6O3S MolecularWeight: 406.93128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CSC(=N)N.Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CSC(=N)N.Cl

InChI

InChI=1S/C15H26N6O3S.ClH/c1-4-5-6-20(10(22)8-25-14(17)18)11-12(16)21(7-9(2)3)15(24)19-13(11)23;/h9H,4-8,16H2,1-3H3,(H3,17,18)(H,19,23,24);1H