2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-6-propan-2-yl-pyrimidine-4-carbonitrile

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-6-propan-2-yl-pyrimidine-4-carbonitrile Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-6-isopropyl-pyrimidine-4-carbonitrile CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-6-propan-2-yl-4-pyrimidinecarbonitrile IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-6-propan-2-ylpyrimidine-4-carbonitrile Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-6-isopropyl-pyrimidine-4-carbonitrile Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C2=NC(=CC(=N2)C(C)C)C#N

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C2=NC(=CC(=N2)C(C)C)C#N

InChI

InChI=1S/C14H20N4O2S/c1-4-18(12-5-6-21(19,20)9-12)14-16-11(8-15)7-13(17-14)10(2)3/h7,10,12H,4-6,9H2,1-3H3/t12-/m0/s1