N-(1,3-benzoxazol-2-yl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-methyl-propanamide

Systemtic Name: N-(1,3-benzoxazol-2-yl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-methyl-propanamide Openeye Name: N-(1,3-benzoxazol-2-yl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-methyl-propanamide CAS Name: N-(1,3-benzoxazol-2-yl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-methylpropanamide IUPAC Name: N-(1,3-benzoxazol-2-yl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-methylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1,3-benzoxazol-2-yl)-N-methyl-propionamide Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H32N6O4/c1-4-6-10-16-30-19(27-22-21(30)23(33)28-24(34)31(22)15-7-5-2)13-14-20(32)29(3)25-26-17-11-8-9-12-18(17)35-25/h8-9,11-12H,4-7,10,13-16H2,1-3H3,(H,28,33,34)