2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-benzylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-benzylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(benzylthio)pyrimidine-5-carbonitrile Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)SCC4=CC=CC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C19H14N4O2S/c20-9-14-17(13-6-7-15-16(8-13)25-11-24-15)22-19(21)23-18(14)26-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H2,21,22,23)