ethyl 4-azanyl-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC(=C(N3C4CCCCC4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC(=C(N3C4CCCCC4)C)C)C

InChI

InChI=1S/C22H29N5O3S/c1-5-29-21(28)17-14(4)30-20-18(17)19(23)25-16(26-20)11-31-22-24-12(2)13(3)27(22)15-9-7-6-8-10-15/h15H,5-11H2,1-4H3,(H2,23,25,26)