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

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C19H21ClN6O3 MolecularWeight: 416.86144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4

InChI

InChI=1S/C19H21ClN6O3/c1-23-17-16(18(28)24(2)19(23)29)26(11-21-17)10-15(27)22-13-9-12(20)5-6-14(13)25-7-3-4-8-25/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,22,27)