3-[4-(3-azanylpropylamino)-3-nitro-phenyl]-6-methyl-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 3-[4-(3-azanylpropylamino)-3-nitro-phenyl]-6-methyl-6H-1,3,4-thiadiazin-2-one Openeye Name: 3-[4-(3-aminopropylamino)-3-nitro-phenyl]-6-methyl-6H-1,3,4-thiadiazin-2-one CAS Name: 3-[4-(3-aminopropylamino)-3-nitrophenyl]-6-methyl-6H-1,3,4-thiadiazin-2-one IUPAC Name: 3-[4-(3-aminopropylamino)-3-nitrophenyl]-6-methyl-6H-1,3,4-thiadiazin-2-one Traditional Name: 3-[4-(3-aminopropylamino)-3-nitro-phenyl]-6-methyl-6H-1,3,4-thiadiazin-2-one Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NN(C(=O)S1)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]

Isomeric SMILES

CC1C=NN(C(=O)S1)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3S/c1-9-8-16-17(13(19)22-9)10-3-4-11(15-6-2-5-14)12(7-10)18(20)21/h3-4,7-9,15H,2,5-6,14H2,1H3