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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(4-bromo-2-methylphenyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-(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=C(C=CC(=C1)Br)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18BrN5O3/c1-10-8-11(18)4-5-12(10)20-13(24)6-7-23-9-19-15-14(23)16(25)22(3)17(26)21(15)2/h4-5,8-9H,6-7H2,1-3H3,(H,20,24)