methyl 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C17H21N5O4S/c1-26-16(25)9-11-8-14(23)21-17(19-11)27-10-15(24)20-13-6-7-18-22(13)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H,20,24)(H,19,21,23)