ethyl 4-azanyl-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C18H17N5O3S/c1-3-25-17(24)13-9(2)26-16-14(13)15(19)22-12(23-16)8-27-18-20-10-6-4-5-7-11(10)21-18/h4-7H,3,8H2,1-2H3,(H,20,21)(H2,19,22,23)