N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C18H20ClN5O5S MolecularWeight: 453.8999

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H20ClN5O5S/c1-22-16-15(17(26)23(2)18(22)27)24(10-20-16)8-4-5-14(25)21-13-9-11(30(3,28)29)6-7-12(13)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,25)