3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-(2-oxidanylidenethiolan-3-yl)propanamide

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-(2-oxidanylidenethiolan-3-yl)propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2-oxotetrahydrothiophen-3-yl)propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2-oxo-3-thiolanyl)propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2-oxothiolan-3-yl)propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-(2-ketotetrahydrothiophen-3-yl)propionamide Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CSC(=O)C1NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H14N6O3S/c13-12-16-9-8(10(20)17-12)14-5-18(9)3-1-7(19)15-6-2-4-22-11(6)21/h5-6H,1-4H2,(H,15,19)(H3,13,16,17,20)