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

Systemtic Name: 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanamide Openeye Name: 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylbutanamide CAS Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]thio]butanamide IUPAC Name: 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanamide Traditional Name: 2-[[7-(3-bromobenzyl)-2,6-diketo-3-methyl-purin-8-yl]thio]butyramide Formula: C17H18BrN5O3S MolecularWeight: 452.32552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)N)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

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