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

Systemtic Name: ethyl 4-azanyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N7O3S MolecularWeight: 443.5226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=C(N3C4CC4)N5CCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=C(N3C4CC4)N5CCCC5)C

InChI

InChI=1S/C20H25N7O3S/c1-3-29-18(28)14-11(2)30-17-15(14)16(21)22-13(23-17)10-31-20-25-24-19(26-8-4-5-9-26)27(20)12-6-7-12/h12H,3-10H2,1-2H3,(H2,21,22,23)