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

Systemtic Name: 1,3,7-trimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3,7-trimethyl-5-(3-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-(3-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3,7-trimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3,7-trimethyl-5-(3-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H15N5O2S/c1-9-17-12-11(14(21)20(3)15(22)19(12)2)13(18-9)23-8-10-5-4-6-16-7-10/h4-7H,8H2,1-3H3