2-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-cyclopentyl-benzamide

Systemtic Name: 2-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-N-cyclopentyl-benzamide Formula: C21H23ClN6O4 MolecularWeight: 458.89812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

InChI

InChI=1S/C21H23ClN6O4/c1-26-17-16(19(31)27(2)21(26)32)28(20(22)25-17)11-15(29)24-14-10-6-5-9-13(14)18(30)23-12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,23,30)(H,24,29)