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

Systemtic Name: 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C26H37N6O2S+ MolecularWeight: 497.67598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4)C(C)C

InChI

InChI=1S/C26H36N6O2S/c1-18(2)30(19(3)4)15-16-31-25(34)21-11-7-8-12-22(21)28-26(31)35-17-24(33)29-23-13-14-27-32(23)20-9-5-6-10-20/h7-8,11-14,18-20H,5-6,9-10,15-17H2,1-4H3,(H,29,33)/p+1