N-[4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-2-quinazolinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]thio]phenyl]propionamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC3=CC=CC(=C3C(=N2)N)C4=NNC(=C4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC3=CC=CC(=C3C(=N2)N)C4=NNC(=C4)C

InChI

InChI=1S/C21H20N6OS/c1-3-18(28)23-13-7-9-14(10-8-13)29-21-24-16-6-4-5-15(19(16)20(22)25-21)17-11-12(2)26-27-17/h4-11H,3H2,1-2H3,(H,23,28)(H,26,27)(H2,22,24,25)