2-methoxy-N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzamide

Systemtic Name: 2-methoxy-N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzamide Openeye Name: 2-methoxy-N-[4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]benzamide CAS Name: 2-methoxy-N-[4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]benzamide IUPAC Name: 2-methoxy-N-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]benzamide Traditional Name: N-[4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]-2-methoxy-benzamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H21N5O4S/c1-25-17-18(26(2)22(30)27(3)20(17)29)24-21(25)32-14-11-9-13(10-12-14)23-19(28)15-7-5-6-8-16(15)31-4/h5-12H,1-4H3,(H,23,28)