ethyl 4-azanyl-2-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-indan-5-yl-1-methyl-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-indan-5-yl-2-keto-1-methyl-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H21N3O3S/c1-3-25-18(24)15-10-21-19(22-17(15)20)26-11(2)16(23)14-8-7-12-5-4-6-13(12)9-14/h7-11H,3-6H2,1-2H3,(H2,20,21,22)