ethyl 6-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NN=C(N3C4CC4)N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NN=C(N3C4CC4)N5CCCCC5

InChI

InChI=1S/C22H28N6O4S/c1-2-31-19(29)17-15(23-20(30)24-18(17)16-7-6-12-32-16)13-33-22-26-25-21(28(22)14-8-9-14)27-10-4-3-5-11-27/h6-7,12,14,18H,2-5,8-11,13H2,1H3,(H2,23,24,30)