[5-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[[4-[cyclohexyl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[[4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furyl]-pyrrolidino-methanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N(C)C4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N(C)C4CCCCC4

InChI

InChI=1S/C22H30N4O2S/c1-16-14-20(25(2)17-8-4-3-5-9-17)24-22(23-16)29-15-18-10-11-19(28-18)21(27)26-12-6-7-13-26/h10-11,14,17H,3-9,12-13,15H2,1-2H3