7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-methoxyphenyl)-1,3-dimethyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-methoxyphenyl)-1,3-dimethyl-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-piperidino-ethyl)thio]-7-(4-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H25N5O4S/c1-25-19-17(21(29)26(2)22(25)30)20(32-13-16(28)27-11-5-4-6-12-27)24-18(23-19)14-7-9-15(31-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3