N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-nitro-3-(phenylmethyl)-2,4-dihydro-1H-pyrimidin-6-amine

Systemtic Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-nitro-3-(phenylmethyl)-2,4-dihydro-1H-pyrimidin-6-amine Openeye Name: 3-benzyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-nitro-2,4-dihydro-1H-pyrimidin-6-amine CAS Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-5-nitro-3-(phenylmethyl)-2,4-dihydro-1H-pyrimidin-6-amine IUPAC Name: 3-benzyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-nitro-2,4-dihydro-1H-pyrimidin-6-amine Traditional Name: (3-benzyl-5-nitro-2,4-dihydro-1H-pyrimidin-6-yl)-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]amine Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=C(CN(CN2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=C(CN(CN2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2S/c1-14-16(21-12-20-14)11-27-8-7-19-18-17(24(25)26)10-23(13-22-18)9-15-5-3-2-4-6-15/h2-6,12,19,22H,7-11,13H2,1H3,(H,20,21)