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

Systemtic Name: 5-butylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-4-5-9-28-16-13-15(21(2)18(25)22(3)17(13)24)19-14(20-16)11-7-6-8-12(10-11)23(26)27/h6-8,10H,4-5,9H2,1-3H3