methyl (2S,4S)-2,4-dimethyl-1,3-bis(2-pyridin-4-ylethyl)-2,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (2S,4S)-2,4-dimethyl-1,3-bis(2-pyridin-4-ylethyl)-2,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl (2S,4S)-2,4-dimethyl-1,3-bis[2-(4-pyridyl)ethyl]-2,4-dihydropyrimidine-5-carboxylate CAS Name: (2S,4S)-2,4-dimethyl-1,3-bis(2-pyridin-4-ylethyl)-2,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-2,4-dimethyl-1,3-bis(2-pyridin-4-ylethyl)-2,4-dihydropyrimidine-5-carboxylate Traditional Name: (2S,4S)-2,4-dimethyl-1,3-bis[2-(4-pyridyl)ethyl]-2,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CN(C(N1CCC2=CC=NC=C2)C)CCC3=CC=NC=C3)C(=O)OC

Isomeric SMILES

C[C@H]1C(=CN([C@@H](N1CCC2=CC=NC=C2)C)CCC3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C22H28N4O2/c1-17-21(22(27)28-3)16-25(14-8-19-4-10-23-11-5-19)18(2)26(17)15-9-20-6-12-24-13-7-20/h4-7,10-13,16-18H,8-9,14-15H2,1-3H3/t17-,18-/m0/s1