methyl 2-(2-chloranyl-4-morpholin-4-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylethanoate

Systemtic Name: methyl 2-(2-chloranyl-4-morpholin-4-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylethanoate Openeye Name: methyl 2-(2-chloro-4-morpholino-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylacetate CAS Name: 2-[[2-chloro-4-(4-morpholinyl)-8-pyrimido[5,4-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-chloro-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-yl)sulfanylacetate Traditional Name: 2-[(2-chloro-4-morpholino-pyrimido[5,4-d]pyrimidin-8-yl)thio]acetic acid methyl ester Formula: C13H14ClN5O3S MolecularWeight: 355.79996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1N=C(N=C2N3CCOCC3)Cl

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1N=C(N=C2N3CCOCC3)Cl

InChI

InChI=1S/C13H14ClN5O3S/c1-21-8(20)6-23-12-10-9(15-7-16-12)11(18-13(14)17-10)19-2-4-22-5-3-19/h7H,2-6H2,1H3