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

Systemtic Name: O3-tert-butyl O5-(phenylmethyl) 2-azanyl-6-methyl-4-propyl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-tert-butyl 2-amino-6-methyl-4-propyl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-propyl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-tert-butyl 2-amino-6-methyl-4-propyl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-propyl-4H-pyrimidine-3,5-dicarboxylic acid O5-benzyl ester O3-tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(N=C(N1C(=O)OC(C)(C)C)N)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC1C(=C(N=C(N1C(=O)OC(C)(C)C)N)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O4/c1-6-10-16-17(18(25)27-13-15-11-8-7-9-12-15)14(2)23-19(22)24(16)20(26)28-21(3,4)5/h7-9,11-12,16H,6,10,13H2,1-5H3,(H2,22,23)