3-[(2-chloranyl-8-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-yl)-ethyl-amino]propan-1-ol

Systemtic Name: 3-[(2-chloranyl-8-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-yl)-ethyl-amino]propan-1-ol Openeye Name: 3-[(2-chloro-8-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-yl)-ethyl-amino]propan-1-ol CAS Name: 3-[[2-chloro-8-(methylthio)-4-pyrimido[5,4-d]pyrimidinyl]-ethylamino]-1-propanol IUPAC Name: 3-[(2-chloro-8-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)-ethylamino]propan-1-ol Traditional Name: 3-[[2-chloro-8-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]-ethyl-amino]propan-1-ol Formula: C12H16ClN5OS MolecularWeight: 313.80634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCO)C1=NC(=NC2=C1N=CN=C2SC)Cl

Isomeric SMILES

CCN(CCCO)C1=NC(=NC2=C1N=CN=C2SC)Cl

InChI

InChI=1S/C12H16ClN5OS/c1-3-18(5-4-6-19)10-8-9(16-12(13)17-10)11(20-2)15-7-14-8/h7,19H,3-6H2,1-2H3