methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate

Systemtic Name: methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate Openeye Name: methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate CAS Name: 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate Traditional Name: 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylic acid methyl ester Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2

Isomeric SMILES

COC(=O)C1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2

InChI

InChI=1S/C21H19N5O2/c1-28-21(27)20-25-18(17-19(26-20)24-13-23-17)22-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H2,22,23,24,25,26)