ethyl 2-[[5-cyano-2-[(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]pyrimidin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[[5-cyano-2-[(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]pyrimidin-4-yl]amino]-3-methyl-butanoate Openeye Name: ethyl 2-[[5-cyano-2-[(1-ethoxycarbonyl-2-methyl-propyl)amino]pyrimidin-4-yl]amino]-3-methyl-butanoate CAS Name: 2-[[5-cyano-2-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)amino]-4-pyrimidinyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-2-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)amino]pyrimidin-4-yl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(1-carbethoxy-2-methyl-propyl)amino]-5-cyano-pyrimidin-4-yl]amino]-3-methyl-butyric acid ethyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC1=NC(=NC=C1C#N)NC(C(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C)C)NC1=NC(=NC=C1C#N)NC(C(C)C)C(=O)OCC

InChI

InChI=1S/C19H29N5O4/c1-7-27-17(25)14(11(3)4)22-16-13(9-20)10-21-19(24-16)23-15(12(5)6)18(26)28-8-2/h10-12,14-15H,7-8H2,1-6H3,(H2,21,22,23,24)