N-[(5-bromanylthiophen-2-yl)methyl]-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-prop-2-enylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C17H18BrN5O3S MolecularWeight: 452.32552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(CC=C)CC3=CC=C(S3)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(CC=C)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN5O3S/c1-4-7-22(8-11-5-6-12(18)27-11)13(24)9-23-16(25)14-15(19-10-20(14)2)21(3)17(23)26/h4-6,10H,1,7-9H2,2-3H3