4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]quinazoline-7-carboxylate

Systemtic Name: 4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]quinazoline-7-carboxylate Openeye Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]quinazoline-7-carboxylate CAS Name: 4-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-7-quinazolinecarboxylate IUPAC Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]quinazoline-7-carboxylate Traditional Name: 4-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]quinazoline-7-carboxylate Formula: C14H14N3O4S- MolecularWeight: 320.34366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-17(10-4-5-22(20,21)7-10)13-11-3-2-9(14(18)19)6-12(11)15-8-16-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,18,19)/p-1/t10-/m0/s1