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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C16H15ClN6O5 MolecularWeight: 406.7805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H15ClN6O5/c1-8(14(24)19-11-5-4-9(23(27)28)6-10(11)17)22-7-18-13-12(22)15(25)21(3)16(26)20(13)2/h4-8H,1-3H3,(H,19,24)