2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(indan-5-ylamino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]thio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(indan-5-ylamino)-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-4-olate Formula: C22H20N3O3S- MolecularWeight: 406.4775

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H21N3O3S/c26-19(23-17-10-9-15-7-4-8-16(15)12-17)13-29-22-24-20(27)18(21(28)25-22)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12H,4,7-8,11,13H2,(H,23,26)(H2,24,25,27,28)/p-1