3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C24H32N6O5 MolecularWeight: 484.54808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H32N6O5/c1-4-6-8-14-28-19(26-22-21(28)23(32)27-24(33)29(22)13-7-5-2)11-12-20(31)25-18-15-17(30(34)35)10-9-16(18)3/h9-10,15H,4-8,11-14H2,1-3H3,(H,25,31)(H,27,32,33)