2-azanyl-4-(furan-2-yl)-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(furan-2-yl)-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-benzylsulfanyl-6-(2-furyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(2-furanyl)-6-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-benzylsulfanyl-6-(furan-2-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(benzylthio)-6-(2-furyl)pyrimidine-5-carbonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)C3=CC=CO3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)C3=CC=CO3)N

InChI

InChI=1S/C16H12N4OS/c17-9-12-14(13-7-4-8-21-13)19-16(18)20-15(12)22-10-11-5-2-1-3-6-11/h1-8H,10H2,(H2,18,19,20)