ethyl 4-azanyl-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC=C(C(=N1)N)C(=O)OCC

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC=C(C(=N1)N)C(=O)OCC

InChI

InChI=1S/C14H22N4O3S/c1-4-9(5-2)17-11(19)8-22-14-16-7-10(12(15)18-14)13(20)21-6-3/h7,9H,4-6,8H2,1-3H3,(H,17,19)(H2,15,16,18)