N,N-dimethyl-6-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylsulfanyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N,N-dimethyl-6-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylsulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: N,N-dimethyl-6-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylsulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: N,N-dimethyl-6-[3-(5-methyl-4-phenyl-1-imidazolyl)propylthio]-5-nitro-4-pyrimidinamine IUPAC Name: N,N-dimethyl-6-[3-(5-methyl-4-phenylimidazol-1-yl)propylsulfanyl]-5-nitropyrimidin-4-amine Traditional Name: dimethyl-[6-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylthio]-5-nitro-pyrimidin-4-yl]amine Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CCCSC2=NC=NC(=C2[N+](=O)[O-])N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1CCCSC2=NC=NC(=C2[N+](=O)[O-])N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H22N6O2S/c1-14-16(15-8-5-4-6-9-15)22-13-24(14)10-7-11-28-19-17(25(26)27)18(23(2)3)20-12-21-19/h4-6,8-9,12-13H,7,10-11H2,1-3H3