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

Systemtic Name: ethyl 4-azanyl-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H15ClN4O3S2 MolecularWeight: 434.9197

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C18H15ClN4O3S2/c1-3-25-17(24)13-8(2)26-16-14(13)15(20)22-12(23-16)7-27-18-21-10-6-9(19)4-5-11(10)28-18/h4-6H,3,7H2,1-2H3,(H2,20,22,23)