7-oxidanylidene-5-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-oxidanylidene-5-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-oxo-5-[[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-oxo-5-[[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C22H22N6O3S/c1-14(2)31-9-5-8-27-21(30)17-6-3-4-7-18(17)26-22(27)32-13-16-10-19(29)28-20(25-16)15(11-23)12-24-28/h3-4,6-7,10,12,14,24H,5,8-9,13H2,1-2H3