ethyl 4-azanyl-2-[2-[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[[2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[[2-(isopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H23N5O4S MolecularWeight: 369.43922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CC(=O)NC(C)C

InChI

InChI=1S/C15H23N5O4S/c1-5-24-14(23)10-6-17-15(19-13(10)16)25-8-12(22)20(4)7-11(21)18-9(2)3/h6,9H,5,7-8H2,1-4H3,(H,18,21)(H2,16,17,19)