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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1,1-bis(oxidanylidene)thiolan-3-yl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1,1-dioxo-3-thiolanyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1,1-diketothiolan-3-yl)propionamide Formula: C12H15N5O3S2 MolecularWeight: 341.4092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H15N5O3S2/c1-7(11(18)16-9-2-3-22(19,20)6-9)21-12-15-5-8(4-13)10(14)17-12/h5,7,9H,2-3,6H2,1H3,(H,16,18)(H2,14,15,17)