3-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C25H35N6O2S+ MolecularWeight: 483.6494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C25H34N6O2S/c1-3-29(4-2)16-9-17-30-24(33)20-12-7-8-13-21(20)27-25(30)34-18-23(32)28-22-14-15-26-31(22)19-10-5-6-11-19/h7-8,12-15,19H,3-6,9-11,16-18H2,1-2H3,(H,28,32)/p+1