N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-N-[(E)-(2,4-dimethoxyphenyl)methyleneamino]pyrimidin-4-amine CAS Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]pyrimidin-4-amine Traditional Name: [2-(benzylthio)pyrimidin-4-yl]-[(E)-(2,4-dimethoxybenzylidene)amino]amine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NNC2=NC(=NC=C2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=N/NC2=NC(=NC=C2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N4O2S/c1-25-17-9-8-16(18(12-17)26-2)13-22-24-19-10-11-21-20(23-19)27-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,21,23,24)/b22-13+