1,7-dicyclopropyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,7-dicyclopropyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-[(3-methyl-5-nitro-4-imidazolyl)thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H15N7O4S MolecularWeight: 401.3998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O4S/c1-21-6-17-12(23(26)27)15(21)28-14-9-11(18-10(19-14)7-2-3-7)22(8-4-5-8)16(25)20-13(9)24/h6-8H,2-5H2,1H3,(H,20,24,25)