tert-butyl N-[[7-[(3-methoxyphenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]methyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[[7-[(3-methoxyphenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]methyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[[7-[(3-methoxyphenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]-N-methyl-carbamate CAS Name: N-[[7-[(3-methoxyphenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-[(3-methoxyphenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]-N-methylcarbamate Traditional Name: N-[(6-keto-7-m-anisyl-3H-purin-2-yl)methyl]-N-methyl-carbamic acid tert-butyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H25N5O4/c1-20(2,3)29-19(27)24(4)11-15-22-17-16(18(26)23-15)25(12-21-17)10-13-7-6-8-14(9-13)28-5/h6-9,12H,10-11H2,1-5H3,(H,22,23,26)