ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(3-oxidanylidenepiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(3-oxidanylidenepiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[(3-oxopiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[(3-oxo-1-piperazinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[(3-oxopiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(3-ketopiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCNC(=O)C2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CCNC(=O)C2)C(=O)OCC

InChI

InChI=1S/C14H22N4O4/c1-3-9-12(13(20)22-4-2)10(17-14(21)16-9)7-18-6-5-15-11(19)8-18/h9H,3-8H2,1-2H3,(H,15,19)(H2,16,17,21)/t9-/m0/s1