ethyl 4-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-4-31-21(28)19-13(2)23-22(29)24-20(19)14-9-10-18(30-3)15(11-14)12-27-17-8-6-5-7-16(17)25-26-27/h5-11,20H,4,12H2,1-3H3,(H2,23,24,29)