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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-naphthalen-1-yl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-N-(1-naphthyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-naphthalen-1-ylacetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(1-naphthyl)acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H23N5O3S/c1-4-12-27-18-19(25(2)22(30)26(3)20(18)29)24-21(27)31-13-17(28)23-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4,12-13H2,1-3H3,(H,23,28)