6-chloranyl-N-ethyl-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-ethyl-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-chloro-N-ethyl-2-methylsulfanyl-5-nitro-pyrimidin-4-amine CAS Name: 6-chloro-N-ethyl-2-(methylthio)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-chloro-N-ethyl-2-methylsulfanyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]-ethyl-amine Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O2S/c1-3-18(9-10-7-5-4-6-8-10)13-11(19(20)21)12(15)16-14(17-13)22-2/h4-8H,3,9H2,1-2H3