N-methyl-5-nitro-N-(phenylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-methyl-5-nitro-N-(phenylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-benzyl-N-methyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-methyl-5-nitro-N-(phenylmethyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-benzyl-N-methyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: benzyl-methyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c1-25(13-15-7-3-2-4-8-15)20-19(26(27)28)21(24-14-23-20)29-17-11-5-9-16-10-6-12-22-18(16)17/h2-12,14H,13H2,1H3