2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C18H17N7O3S MolecularWeight: 411.43768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C18H17N7O3S/c1-23-15-14(16(27)24(2)18(23)28)25(10-19-15)9-12(26)20-17-22-21-13(29-17)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,20,22,26)