2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]quinoline hydrate

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]quinoline hydrate Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]quinoline hydrate CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]quinoline hydrate IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]quinoline hydrate Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]quinoline hydrate Formula: C14H10ClN5OS MolecularWeight: 331.7801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SC3=NC(=NC4=C3NC=N4)Cl.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SC3=NC(=NC4=C3NC=N4)Cl.O

InChI

InChI=1S/C14H8ClN5S.H2O/c15-14-19-12-11(16-7-17-12)13(20-14)21-10-6-5-8-3-1-2-4-9(8)18-10;/h1-7H,(H,16,17,19,20);1H2