ethyl 2-[5-(furan-2-ylmethyl)-4-(2-methylpropylamino)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[5-(furan-2-ylmethyl)-4-(2-methylpropylamino)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-(2-furylmethyl)-4-(isobutylamino)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(2-furanylmethyl)-4-(2-methylpropylamino)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(furan-2-ylmethyl)-4-(2-methylpropylamino)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(2-furfuryl)-4-(isobutylamino)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)NCC(C)C)CC2=CC=CO2

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)NCC(C)C)CC2=CC=CO2

InChI

InChI=1S/C17H23N3O3S/c1-4-22-15(21)11-24-17-19-10-13(8-14-6-5-7-23-14)16(20-17)18-9-12(2)3/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,19,20)