N-[4-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methylthio]phenyl]acetamide IUPAC Name: N-[4-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methylthio]phenyl]acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=C(C=C3)NC(=O)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=C(C=C3)NC(=O)C)CC

InChI

InChI=1S/C20H25N5O3S/c1-4-6-11-25-18-17(19(27)23-20(25)28)24(5-2)16(22-18)12-29-15-9-7-14(8-10-15)21-13(3)26/h7-10H,4-6,11-12H2,1-3H3,(H,21,26)(H,23,27,28)