8-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one

Systemtic Name: 8-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[3-(2-benzotriazolyl)-4-ethoxyphenyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[3-(benzotriazol-2-yl)-4-ethoxyphenyl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[3-(benzotriazol-2-yl)-4-ethoxy-benzyl]thio]-2,9-dimethyl-3H-purin-6-one Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NC3=C(N2C)NC(=NC3=O)C)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NC3=C(N2C)NC(=NC3=O)C)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C22H21N7O2S/c1-4-31-18-10-9-14(11-17(18)29-26-15-7-5-6-8-16(15)27-29)12-32-22-25-19-20(28(22)3)23-13(2)24-21(19)30/h5-11H,4,12H2,1-3H3,(H,23,24,30)