[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxidanylidene-pentyl] ethanoate carbamothioate

Systemtic Name: [3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxidanylidene-pentyl] ethanoate carbamothioate Openeye Name: [3-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxo-pentyl] acetate carbamothioate CAS Name: acetic acid [3-[[[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-oxomethyl]thio]-4-oxopentyl] ester carbamothioate IUPAC Name: [3-[(4-amino-2-methylpyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxopentyl] acetate carbamothioate Traditional Name: acetic acid [3-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoylthio]-4-keto-pentyl] ester thiocarbamate Formula: C15H22N5O5S2- MolecularWeight: 416.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CNC(=O)SC(CCOC(=O)C)C(=O)C.C(=S)(N)[O-]

Isomeric SMILES

CC1=NC=C(C(=N1)N)CNC(=O)SC(CCOC(=O)C)C(=O)C.C(=S)(N)[O-]

InChI

InChI=1S/C14H20N4O4S.CH3NOS/c1-8(19)12(4-5-22-10(3)20)23-14(21)17-7-11-6-16-9(2)18-13(11)15;2-1(3)4/h6,12H,4-5,7H2,1-3H3,(H,17,21)(H2,15,16,18);(H3,2,3,4)/p-1