ethyl 1-[2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5,6-diamino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C14H21N5O4S MolecularWeight: 355.41264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)N

InChI

InChI=1S/C14H21N5O4S/c1-2-23-13(22)8-3-5-19(6-4-8)9(20)7-24-14-17-11(16)10(15)12(21)18-14/h8H,2-7,15H2,1H3,(H3,16,17,18,21)