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

Systemtic Name: 5-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H15N7OS MolecularWeight: 377.423

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C18H15N7OS/c1-2-20-16-13-5-3-4-6-14(13)23-18(24-16)27-10-12-7-15(26)25-17(22-12)11(8-19)9-21-25/h3-7,9,21H,2,10H2,1H3,(H,20,23,24)