ditert-butyl (2E)-2-[4-methyl-6-(piperidin-4-ylcarbamoyl)-1,3-diazinan-2-ylidene]-4H-pyrimidine-1,3-dicarboxylate

Systemtic Name: ditert-butyl (2E)-2-[4-methyl-6-(piperidin-4-ylcarbamoyl)-1,3-diazinan-2-ylidene]-4H-pyrimidine-1,3-dicarboxylate Openeye Name: ditert-butyl (2E)-2-[4-methyl-6-(4-piperidylcarbamoyl)hexahydropyrimidin-2-ylidene]-4H-pyrimidine-1,3-dicarboxylate CAS Name: (2E)-2-[4-methyl-6-[oxo-(4-piperidinylamino)methyl]-1,3-diazinan-2-ylidene]-4H-pyrimidine-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E)-2-[4-methyl-6-(piperidin-4-ylcarbamoyl)-1,3-diazinan-2-ylidene]-4H-pyrimidine-1,3-dicarboxylate Traditional Name: (2E)-2-[4-methyl-6-(4-piperidylcarbamoyl)hexahydropyrimidin-2-ylidene]-4H-pyrimidine-1,3-dicarboxylic acid ditert-butyl ester Formula: C25H42N6O5 MolecularWeight: 506.63818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=C2N(CC=CN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N1)C(=O)NC3CCNCC3

Isomeric SMILES

CC1CC(N/C(=C/2\N(CC=CN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)/N1)C(=O)NC3CCNCC3

InChI

InChI=1S/C25H42N6O5/c1-16-15-18(20(32)28-17-9-11-26-12-10-17)29-19(27-16)21-30(22(33)35-24(2,3)4)13-8-14-31(21)23(34)36-25(5,6)7/h8,13,16-18,26-27,29H,9-12,14-15H2,1-7H3,(H,28,32)/b21-19-