9-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-3H-purine-6-thione hydrochloride

Systemtic Name: 9-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-3H-purine-6-thione hydrochloride Openeye Name: 9-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-3H-purine-6-thione hydrochloride CAS Name: 9-[3-(diethylaminomethyl)-4-hydroxyphenyl]-3H-purine-6-thione hydrochloride IUPAC Name: 9-[3-(diethylaminomethyl)-4-hydroxyphenyl]-3H-purine-6-thione hydrochloride Traditional Name: 9-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-3H-purine-6-thione hydrochloride Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)N2C=NC3=C2NC=NC3=S)O.Cl

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)N2C=NC3=C2NC=NC3=S)O.Cl

InChI

InChI=1S/C16H19N5OS.ClH/c1-3-20(4-2)8-11-7-12(5-6-13(11)22)21-10-19-14-15(21)17-9-18-16(14)23;/h5-7,9-10,22H,3-4,8H2,1-2H3,(H,17,18,23);1H