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

Systemtic Name: O3-tert-butyl O5-(phenylmethyl) 2-azanyl-6-methyl-4-propan-2-yl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-tert-butyl 2-amino-4-isopropyl-6-methyl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-propan-2-yl-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-propan-2-yl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 2-amino-4-isopropyl-6-methyl-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:

CC1=C(C(N(C(=N1)N)C(=O)OC(C)(C)C)C(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(N(C(=N1)N)C(=O)OC(C)(C)C)C(C)C)C(=O)OCC2=CC=CC=C2

InChI

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