N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[(6-methylpyridin-3-yl)methyl]-4-prop-2-enoxy-pyrimidin-2-amine

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[(6-methylpyridin-3-yl)methyl]-4-prop-2-enoxy-pyrimidin-2-amine Openeye Name: 4-allyloxy-N-[2-(2-furylmethylsulfanyl)ethyl]-5-[(6-methyl-3-pyridyl)methyl]pyrimidin-2-amine CAS Name: N-[2-(2-furanylmethylthio)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-4-prop-2-enoxy-2-pyrimidinamine IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[(6-methylpyridin-3-yl)methyl]-4-prop-2-enoxypyrimidin-2-amine Traditional Name: [4-allyloxy-5-[(6-methyl-3-pyridyl)methyl]pyrimidin-2-yl]-[2-(2-furfurylthio)ethyl]amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(N=C2OCC=C)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(N=C2OCC=C)NCCSCC3=CC=CO3

InChI

InChI=1S/C21H24N4O2S/c1-3-9-27-20-18(12-17-7-6-16(2)23-13-17)14-24-21(25-20)22-8-11-28-15-19-5-4-10-26-19/h3-7,10,13-14H,1,8-9,11-12,15H2,2H3,(H,22,24,25)