N-(2-bromanyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C17H18BrN5O3 MolecularWeight: 420.26052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)Br

InChI

InChI=1S/C17H18BrN5O3/c1-9-5-6-12(11(18)7-9)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3/h5-8,10H,1-4H3,(H,20,24)