ethyl 4-azanyl-2-[2-[[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(C(C)C)C(=O)N2CCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N[C@@H](C(C)C)C(=O)N2CCCC2

InChI

InChI=1S/C18H27N5O4S/c1-4-27-17(26)12-9-20-18(22-15(12)19)28-10-13(24)21-14(11(2)3)16(25)23-7-5-6-8-23/h9,11,14H,4-8,10H2,1-3H3,(H,21,24)(H2,19,20,22)/t14-/m0/s1