4-azanyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2,3-dihydrobenzofuran-5-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2,3-dihydrobenzofuran-5-yl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-coumaran-5-yl-2-keto-ethyl)thio]pyrimidine-5-carbonitrile Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H12N4O2S/c16-6-11-7-18-15(19-14(11)17)22-8-12(20)9-1-2-13-10(5-9)3-4-21-13/h1-2,5,7H,3-4,8H2,(H2,17,18,19)