1,3-dimethyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1,3-dimethyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1,3-dimethyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1,3-dimethyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1,3-dimethyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-mesyl-1,3-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CN=C(N=C2N(C1=O)C)S(=O)(=O)C

Isomeric SMILES

CN1CC2=CN=C(N=C2N(C1=O)C)S(=O)(=O)C

InChI

InChI=1S/C9H12N4O3S/c1-12-5-6-4-10-8(17(3,15)16)11-7(6)13(2)9(12)14/h4H,5H2,1-3H3