6-(quinolin-2-ylmethylsulfanyl)-3,7-dihydropurin-2-one

Systemtic Name: 6-(quinolin-2-ylmethylsulfanyl)-3,7-dihydropurin-2-one Openeye Name: 6-(2-quinolylmethylsulfanyl)-3,7-dihydropurin-2-one CAS Name: 6-(2-quinolinylmethylthio)-3,7-dihydropurin-2-one IUPAC Name: 6-(quinolin-2-ylmethylsulfanyl)-3,7-dihydropurin-2-one Traditional Name: 6-(2-quinolylmethylthio)-3,7-dihydropurin-2-one Formula: C15H11N5OS MolecularWeight: 309.34574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=NC(=O)NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=NC(=O)NC4=C3NC=N4

InChI

InChI=1S/C15H11N5OS/c21-15-19-13-12(16-8-17-13)14(20-15)22-7-10-6-5-9-3-1-2-4-11(9)18-10/h1-6,8H,7H2,(H2,16,17,19,20,21)