3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-(3-morpholinopropyl)-2-thioxo-7H-purin-6-one CAS Name: 3-[3-(4-morpholinyl)propyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-(3-morpholinopropyl)-2-thioxo-7H-purin-6-one Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C3=C(C(=O)NC2=S)NC=N3

Isomeric SMILES

C1COCCN1CCCN2C3=C(C(=O)NC2=S)NC=N3

InChI

InChI=1S/C12H17N5O2S/c18-11-9-10(14-8-13-9)17(12(20)15-11)3-1-2-16-4-6-19-7-5-16/h8H,1-7H2,(H,13,14)(H,15,18,20)