1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-N-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]methanamine

Systemtic Name: 1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-N-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]methanamine Openeye Name: 1-(p-tolyl)-N-(4-pyridylmethyl)-N-[(5-pyrimidin-2-ylsulfanyl-2-furyl)methyl]methanamine CAS Name: 1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-N-[[5-(2-pyrimidinylthio)-2-furanyl]methyl]methanamine IUPAC Name: 1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-N-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]methanamine Traditional Name: (4-methylbenzyl)-(4-pyridylmethyl)-[[5-(2-pyrimidylthio)-2-furyl]methyl]amine Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=NC=C2)CC3=CC=C(O3)SC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=NC=C2)CC3=CC=C(O3)SC4=NC=CC=N4

InChI

InChI=1S/C23H22N4OS/c1-18-3-5-19(6-4-18)15-27(16-20-9-13-24-14-10-20)17-21-7-8-22(28-21)29-23-25-11-2-12-26-23/h2-14H,15-17H2,1H3