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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H23N5O3S/c1-4-10-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)28-12-14(25)20-11-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,25)