6-[[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amino]chromen-2-one

Systemtic Name: 6-[[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amino]chromen-2-one Openeye Name: 6-[[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amino]chromen-2-one CAS Name: 6-[[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amino]-1-benzopyran-2-one IUPAC Name: 6-[[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amino]chromen-2-one Traditional Name: 6-[[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amino]coumarin Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)OC(=O)C=C4)NC(C)(C)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)OC(=O)C=C4)NC(C)(C)C

InChI

InChI=1S/C20H22N6O2/c1-5-14-22-16-17(23-14)24-19(25-18(16)26-20(2,3)4)21-12-7-8-13-11(10-12)6-9-15(27)28-13/h6-10H,5H2,1-4H3,(H3,21,22,23,24,25,26)