ethyl 2-cyano-4-[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-cyano-4-[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(tert-butoxycarbonylamino)-(2,2-dimethylpropyl)amino]-2-cyano-pyrimidine-5-carboxylate CAS Name: 2-cyano-4-[2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-4-[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pyrimidine-5-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)-neopentyl-amino]-2-cyano-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(CC(C)(C)C)NC(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(CC(C)(C)C)NC(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C18H27N5O4/c1-8-26-15(24)12-10-20-13(9-19)21-14(12)23(11-17(2,3)4)22-16(25)27-18(5,6)7/h10H,8,11H2,1-7H3,(H,22,25)