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

Systemtic Name: [3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxidanylidene-pentyl] ethanoate Openeye Name: [3-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxo-pentyl] acetate CAS Name: acetic acid [3-[[[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-oxomethyl]thio]-4-oxopentyl] ester IUPAC Name: [3-[(4-amino-2-methylpyrimidin-5-yl)methylcarbamoylsulfanyl]-4-oxopentyl] acetate Traditional Name: acetic acid [3-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoylthio]-4-keto-pentyl] ester Formula: C14H20N4O4S MolecularWeight: 340.398

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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

Isomeric SMILES

CC1=NC=C(C(=N1)N)CNC(=O)SC(CCOC(=O)C)C(=O)C

InChI

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