methyl 2-(4-morpholin-4-yl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-morpholin-4-yl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylethanoate Openeye Name: methyl 2-(4-morpholino-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylacetate CAS Name: 2-[[4-(4-morpholinyl)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-morpholin-4-yl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl)sulfanylacetate Traditional Name: 2-[(4-morpholino-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl)thio]acetic acid methyl ester Formula: C17H23N7O3S MolecularWeight: 405.47462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1N=C(N=C2N3CCOCC3)N4CCNCC4

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1N=C(N=C2N3CCOCC3)N4CCNCC4

InChI

InChI=1S/C17H23N7O3S/c1-26-12(25)10-28-16-14-13(19-11-20-16)15(23-6-8-27-9-7-23)22-17(21-14)24-4-2-18-3-5-24/h11,18H,2-10H2,1H3