4-(3-methyl-2-methylsulfanyl-4-oxidanylidene-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-(3-methyl-2-methylsulfanyl-4-oxidanylidene-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)-N-oxidanyl-benzeneamine oxide Openeye Name: N-hydroxy-4-(3-methyl-2-methylsulfanyl-4-oxo-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)benzeneamine oxide CAS Name: N-hydroxy-4-[3-methyl-2-(methylthio)-4-oxo-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl]benzeneamine oxide IUPAC Name: N-hydroxy-4-(3-methyl-2-methylsulfanyl-4-oxo-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)benzeneamine oxide Traditional Name: N-hydroxy-4-[4-keto-3-methyl-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl]benzeneamine oxide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)[NH+](O)[O-])C4=CC=CC=C4)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)[NH+](O)[O-])C4=CC=CC=C4)N=C1SC

InChI

InChI=1S/C21H21N5O3S/c1-25-20(27)18-19(24-21(25)30-2)23-17(13-6-4-3-5-7-13)12-16(22-18)14-8-10-15(11-9-14)26(28)29/h3-11,17,23,26,28H,12H2,1-2H3