7-cyclohexyl-1,3-dimethyl-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-cyclohexyl-1,3-dimethyl-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclohexyl-1,3-dimethyl-5-(2-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclohexyl-1,3-dimethyl-5-(2-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclohexyl-1,3-dimethyl-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclohexyl-1,3-dimethyl-5-(2-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC4=CC=CC=N4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC4=CC=CC=N4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H23N5O2S/c1-24-17-15(19(26)25(2)20(24)27)18(28-12-14-10-6-7-11-21-14)23-16(22-17)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3