N-[(4-bromophenyl)carbamoyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide

Systemtic Name: N-[(4-bromophenyl)carbamoyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-[(4-bromophenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-[(4-bromoanilino)-oxomethyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-[(4-bromophenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-[(4-bromophenyl)carbamoyl]-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H17BrN6O4/c1-9(14(25)21-16(27)20-11-6-4-10(18)5-7-11)24-8-19-13-12(24)15(26)23(3)17(28)22(13)2/h4-9H,1-3H3,(H2,20,21,25,27)