O3-tert-butyl O5-(phenylmethyl) 2-azanyl-4-cyclohexyl-6-methyl-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-(phenylmethyl) 2-azanyl-4-cyclohexyl-6-methyl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-tert-butyl 2-amino-4-cyclohexyl-6-methyl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2-amino-4-cyclohexyl-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-tert-butyl 2-amino-4-cyclohexyl-6-methyl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 2-amino-4-cyclohexyl-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O5-benzyl ester O3-tert-butyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)N)C(=O)OC(C)(C)C)C2CCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(N(C(=N1)N)C(=O)OC(C)(C)C)C2CCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4/c1-16-19(21(28)30-15-17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)27(22(25)26-16)23(29)31-24(2,3)4/h5,7-8,11-12,18,20H,6,9-10,13-15H2,1-4H3,(H2,25,26)