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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H28N6O3S/c1-6-7-12-27-17-18(25(4)21(30)26(5)19(17)29)23-20(27)31-13-16(28)22-14-8-10-15(11-9-14)24(2)3/h8-11H,6-7,12-13H2,1-5H3,(H,22,28)