(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: (4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)methyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H19N7O2S MolecularWeight: 409.46486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=NC=NN12)C(=O)OCC3=NC(=C4C5=C(CCCC5)SC4=N3)N

Isomeric SMILES

CCC1=C(C=NC2=NC=NN12)C(=O)OCC3=NC(=C4C5=C(CCCC5)SC4=N3)N

InChI

InChI=1S/C19H19N7O2S/c1-2-12-11(7-21-19-22-9-23-26(12)19)18(27)28-8-14-24-16(20)15-10-5-3-4-6-13(10)29-17(15)25-14/h7,9H,2-6,8H2,1H3,(H2,20,24,25)