4-azanyl-2-ethylsulfanyl-6-(3-methoxy-4-phenylmethoxy-phenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-ethylsulfanyl-6-(3-methoxy-4-phenylmethoxy-phenyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-(4-benzyloxy-3-methoxy-phenyl)-2-ethylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(ethylthio)-6-(3-methoxy-4-phenylmethoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-ethylsulfanyl-6-(3-methoxy-4-phenylmethoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-(4-benzoxy-3-methoxy-phenyl)-2-(ethylthio)pyrimidine-5-carbonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=N1)N)C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCSC1=NC(=C(C(=N1)N)C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N4O2S/c1-3-28-21-24-19(16(12-22)20(23)25-21)15-9-10-17(18(11-15)26-2)27-13-14-7-5-4-6-8-14/h4-11H,3,13H2,1-2H3,(H2,23,24,25)