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

Systemtic Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-propan-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylthio]-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-1,3-dimethyl-5-[(4-nitrobenzyl)thio]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:

CC(C)C1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19N5O4S/c1-10(2)14-19-15-13(17(24)22(4)18(25)21(15)3)16(20-14)28-9-11-5-7-12(8-6-11)23(26)27/h5-8,10H,9H2,1-4H3