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

Systemtic Name: 1,3,7-trimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3,7-trimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-[(3-nitrophenyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3,7-trimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3,7-trimethyl-5-[(3-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H15N5O4S/c1-9-17-13-12(15(22)20(3)16(23)19(13)2)14(18-9)26-8-10-5-4-6-11(7-10)21(24)25/h4-7H,8H2,1-3H3