N-[6-(diphenylcarbamoylamino)-7H-purin-2-yl]-2-methyl-propanamide

Systemtic Name: N-[6-(diphenylcarbamoylamino)-7H-purin-2-yl]-2-methyl-propanamide Openeye Name: N-[6-(diphenylcarbamoylamino)-7H-purin-2-yl]-2-methyl-propanamide CAS Name: 2-methyl-N-[6-[[oxo-(N-phenylanilino)methyl]amino]-7H-purin-2-yl]propanamide IUPAC Name: N-[6-(diphenylcarbamoylamino)-7H-purin-2-yl]-2-methylpropanamide Traditional Name: N-[6-(diphenylcarbamoylamino)-7H-purin-2-yl]-2-methyl-propionamide Formula: C22H21N7O2 MolecularWeight: 416.441249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(C(=N1)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2

Isomeric SMILES

CC(C)C(=O)[15NH]C1=NC2=C(C(=N1)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2

InChI

InChI=1S/C22H21N7O2/c1-14(2)20(30)28-21-25-18-17(23-13-24-18)19(26-21)27-22(31)29(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3,(H3,23,24,25,26,27,28,30,31)/i28+1