ethyl 3-[[4-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl 3-[[4-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl 3-[[3-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]carbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[4-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[[3-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C20H29N5O5 MolecularWeight: 419.47476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H29N5O5/c1-4-29-19(28)16-15(30-16)17(26)23-14(12-13(2)3)18(27)24-8-10-25(11-9-24)20-21-6-5-7-22-20/h5-7,13-16H,4,8-12H2,1-3H3,(H,23,26)