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

Systemtic Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-[(4-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c25-17-14-16(23(12-7-8-12)19(26)22-17)20-15(11-3-4-11)21-18(14)29-9-10-1-5-13(6-2-10)24(27)28/h1-2,5-6,11-12H,3-4,7-9H2,(H,22,25,26)