N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: homoveratryl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O4S/c1-27-16-9-8-14(12-17(16)28-2)10-11-21-19-18(24(25)26)20(23-13-22-19)29-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)