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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

InChI

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