2-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanamide

Systemtic Name: 2-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanamide Openeye Name: 2-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylbutanamide CAS Name: 2-[(7-butyl-3-methyl-2,6-dioxo-8-purinyl)thio]butanamide IUPAC Name: 2-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylbutanamide Traditional Name: 2-[(7-butyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyramide Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC(CC)C(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SC(CC)C(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O3S/c1-4-6-7-19-9-11(18(3)13(22)17-12(9)21)16-14(19)23-8(5-2)10(15)20/h8H,4-7H2,1-3H3,(H2,15,20)(H,17,21,22)