4-azanyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H12N4O3S/c16-6-10-7-18-15(19-14(10)17)23-8-11(20)9-1-2-12-13(5-9)22-4-3-21-12/h1-2,5,7H,3-4,8H2,(H2,17,18,19)