N-methyl-N-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-1-pyrimidin-4-yl-methanamine

Systemtic Name: N-methyl-N-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-1-pyrimidin-4-yl-methanamine Openeye Name: N-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-yl-methanamine CAS Name: N-methyl-N-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-1-(4-pyrimidinyl)methanamine IUPAC Name: N-methyl-N-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-1-pyrimidin-4-ylmethanamine Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(4-pyrimidylmethyl)amine Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN(C)CC3=NC=NC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN(C)CC3=NC=NC=C3

InChI

InChI=1S/C21H27N5O2S/c1-17(2)29(27,28)21-23-13-20(15-25(3)14-19-9-11-22-16-24-19)26(21)12-10-18-7-5-4-6-8-18/h4-9,11,13,16-17H,10,12,14-15H2,1-3H3