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

Systemtic Name: 7-ethyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-ethyl-1,3-dimethyl-5-(3-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-ethyl-1,3-dimethyl-5-(3-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-ethyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-ethyl-1,3-dimethyl-5-(3-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H17N5O2S/c1-4-11-18-13-12(15(22)21(3)16(23)20(13)2)14(19-11)24-9-10-6-5-7-17-8-10/h5-8H,4,9H2,1-3H3