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

Systemtic Name: 1,3-dimethyl-7-propyl-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-propyl-5-(2-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-propyl-5-(2-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-propyl-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-propyl-5-(2-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC3=CC=CC=N3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC3=CC=CC=N3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H19N5O2S/c1-4-7-12-19-14-13(16(23)22(3)17(24)21(14)2)15(20-12)25-10-11-8-5-6-9-18-11/h5-6,8-9H,4,7,10H2,1-3H3