2-[[2-(2-methylpropanoylamino)-6-oxidanylidene-8-(4-propan-2-yloxyphenyl)-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate

Systemtic Name: 2-[[2-(2-methylpropanoylamino)-6-oxidanylidene-8-(4-propan-2-yloxyphenyl)-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate Openeye Name: 2-[[8-(4-isopropoxyphenyl)-2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-8-(4-propan-2-yloxyphenyl)-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-(2-methylpropanoylamino)-6-oxo-8-(4-propan-2-yloxyphenyl)-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[[2-(isobutyrylamino)-8-(4-isopropoxyphenyl)-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C25H33N5O6 MolecularWeight: 499.55942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)C3=CC=C(C=C3)OC(C)C)COCCOC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)C3=CC=C(C=C3)OC(C)C)COCCOC(=O)C(C)C

InChI

InChI=1S/C25H33N5O6/c1-14(2)22(31)28-25-27-21-19(23(32)29-25)26-20(17-7-9-18(10-8-17)36-16(5)6)30(21)13-34-11-12-35-24(33)15(3)4/h7-10,14-16H,11-13H2,1-6H3,(H2,27,28,29,31,32)