2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-cyclopentyl-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-cyclopentyl-N-(1,1-diketothiolan-3-yl)acetamide Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H21N5O3S2/c17-7-11-8-19-16(20-15(11)18)25-9-14(22)21(12-3-1-2-4-12)13-5-6-26(23,24)10-13/h8,12-13H,1-6,9-10H2,(H2,18,19,20)