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

Systemtic Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylthio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(3-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(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

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

InChI

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