tert-butyl 2-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]morpholine-4-carboxylate

Systemtic Name: tert-butyl 2-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]morpholine-4-carboxylate Openeye Name: tert-butyl 2-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]morpholine-4-carboxylate CAS Name: 2-[[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-2-pyrimidinyl]amino]-oxomethyl]-4-morpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methylpyrimidin-2-yl]carbamoyl]morpholine-4-carboxylate Traditional Name: 2-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]morpholine-4-carboxylic acid tert-butyl ester Formula: C26H31N7O4 MolecularWeight: 505.56884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2NC1=C(C#N)C3=NC(=NC=C3C)NC(=O)C4CN(CCO4)C(=O)OC(C)(C)C

Isomeric SMILES

CCN\1C2=CC=CC=C2N/C1=C(/C#N)\C3=NC(=NC=C3C)NC(=O)C4CN(CCO4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N7O4/c1-6-33-19-10-8-7-9-18(19)29-22(33)17(13-27)21-16(2)14-28-24(30-21)31-23(34)20-15-32(11-12-36-20)25(35)37-26(3,4)5/h7-10,14,20,29H,6,11-12,15H2,1-5H3,(H,28,30,31,34)/b22-17+