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

Systemtic Name: ethyl 4-azanyl-2-[2-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[ethyl-[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[ethyl-[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H25N5O4S MolecularWeight: 383.4658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O4S/c1-5-21(8-12(22)19-10(3)4)13(23)9-26-16-18-7-11(14(17)20-16)15(24)25-6-2/h7,10H,5-6,8-9H2,1-4H3,(H,19,22)(H2,17,18,20)