N-(4-butylphenyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(4-butylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(4-butylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(4-butylphenyl)-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H22ClN5O3/c1-4-5-6-12-7-9-13(10-8-12)21-14(26)11-25-15-16(22-18(25)20)23(2)19(28)24(3)17(15)27/h7-10H,4-6,11H2,1-3H3,(H,21,26)