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

Systemtic Name: 3-methyl-N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzamide Openeye Name: 3-methyl-N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]benzamide CAS Name: 3-methyl-N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]benzamide IUPAC Name: 3-methyl-N-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]benzamide Traditional Name: N-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]-3-methyl-benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H21N5O3S/c1-13-8-7-9-14(12-13)19(28)23-15-10-5-6-11-16(15)31-21-24-18-17(25(21)2)20(29)27(4)22(30)26(18)3/h5-12H,1-4H3,(H,23,28)