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

Systemtic Name: 7-butyl-1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-1,3-dimethyl-5-[(3-nitrophenyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-1,3-dimethyl-5-[(3-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21N5O4S/c1-4-5-9-14-20-16-15(18(25)23(3)19(26)22(16)2)17(21-14)29-11-12-7-6-8-13(10-12)24(27)28/h6-8,10H,4-5,9,11H2,1-3H3