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

Systemtic Name: 4-azanyl-2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(2-indan-5-yl-2-oxo-ethyl)sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-indan-5-yl-2-keto-ethyl)thio]pyrimidine-5-carbonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H14N4OS/c17-7-13-8-19-16(20-15(13)18)22-9-14(21)12-5-4-10-2-1-3-11(10)6-12/h4-6,8H,1-3,9H2,(H2,18,19,20)