methyl 2-[2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate CAS Name: 2-[[2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]acetyl]amino]benzoic acid methyl ester Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H17N5O4S/c1-3-28-18-19-8-12-15(22-18)20-10-23(16(12)25)9-14(24)21-13-7-5-4-6-11(13)17(26)27-2/h4-8,10H,3,9H2,1-2H3,(H,21,24)