ethyl (4R)-6-(benzotriazol-1-ylmethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-(benzotriazol-1-ylmethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(benzotriazol-1-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-(1-benzotriazolylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(benzotriazol-1-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-(benzotriazol-1-ylmethyl)-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N5O3/c1-2-28-19(26)17-15(12-25-16-11-7-6-10-14(16)23-24-25)21-20(27)22-18(17)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3,(H2,21,22,27)/t18-/m1/s1