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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenylthio)pyrimidine-5-carbonitrile Formula: C18H12N4O2S MolecularWeight: 348.37848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)SC4=CC=CC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)SC4=CC=CC=C4)C#N

InChI

InChI=1S/C18H12N4O2S/c19-9-13-16(11-6-7-14-15(8-11)24-10-23-14)21-18(20)22-17(13)25-12-4-2-1-3-5-12/h1-8H,10H2,(H2,20,21,22)