4-azanyl-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[3-(4-methoxyphenyl)-5-isoxazolyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylthio]pyrimidine-5-carbonitrile Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H13N5O2S/c1-22-12-4-2-10(3-5-12)14-6-13(23-21-14)9-24-16-19-8-11(7-17)15(18)20-16/h2-6,8H,9H2,1H3,(H2,18,19,20)