tert-butyl N-methyl-N-[[7-[(4-methylphenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[[7-[(4-methylphenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]methyl]carbamate Openeye Name: tert-butyl N-methyl-N-[[6-oxo-7-(p-tolylmethyl)-3H-purin-2-yl]methyl]carbamate CAS Name: N-methyl-N-[[7-[(4-methylphenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[[7-[(4-methylphenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]carbamate Traditional Name: N-[[6-keto-7-(4-methylbenzyl)-3H-purin-2-yl]methyl]-N-methyl-carbamic acid tert-butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CN(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N5O3/c1-13-6-8-14(9-7-13)10-25-12-21-17-16(25)18(26)23-15(22-17)11-24(5)19(27)28-20(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,22,23,26)