1,3-dimethyl-7-(3-nitrophenyl)-5-propylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(3-nitrophenyl)-5-propylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(3-nitrophenyl)-5-propylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(3-nitrophenyl)-5-(propylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(3-nitrophenyl)-5-propylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(3-nitrophenyl)-5-(propylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H17N5O4S MolecularWeight: 387.41298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-4-8-27-15-12-14(20(2)17(24)21(3)16(12)23)18-13(19-15)10-6-5-7-11(9-10)22(25)26/h5-7,9H,4,8H2,1-3H3