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

Systemtic Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylthio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(4-nitrobenzyl)thio]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

InChI

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