2-cyanoethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-cyanoethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-cyanoethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[4-(diethylamino)phenyl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCC#N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCC#N

InChI

InChI=1S/C19H24N4O3/c1-4-23(5-2)15-9-7-14(8-10-15)17-16(13(3)21-19(25)22-17)18(24)26-12-6-11-20/h7-10,16-17H,3-6,12H2,1-2H3,(H2,21,22,25)/t16-,17+/m0/s1