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

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1-benzylimidazol-2-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC=CN3CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC=CN3CC4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O3S/c1-3-28-20(27)16-13(2)29-19-17(16)18(22)24-15(25-19)12-30-21-23-9-10-26(21)11-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3,(H2,22,24,25)