N4-methyl-2-methylsulfanyl-5-nitro-N4-(phenylmethyl)-N6-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-2-methylsulfanyl-5-nitro-N4-(phenylmethyl)-N6-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-isopropyl-N4-methyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-2-(methylthio)-5-nitro-N4-(phenylmethyl)-N6-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-2-methylsulfanyl-5-nitro-6-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(isopropylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NC(=N1)SC)N(C)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NC(=N1)SC)N(C)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S/c1-11(2)17-14-13(21(22)23)15(19-16(18-14)24-4)20(3)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,17,18,19)