N-[4-[4,7-bis(azanyl)-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4,7-bis(azanyl)-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4,7-diamino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4,7-diamino-5-(5-methyl-1H-pyrazol-3-yl)-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4,7-diamino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4,7-diamino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]thio]phenyl]acetamide Formula: C20H19N7OS MolecularWeight: 405.47616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=CC(=CC3=C2C(=NC(=N3)SC4=CC=C(C=C4)NC(=O)C)N)N

Isomeric SMILES

CC1=CC(=NN1)C2=CC(=CC3=C2C(=NC(=N3)SC4=CC=C(C=C4)NC(=O)C)N)N

InChI

InChI=1S/C20H19N7OS/c1-10-7-16(27-26-10)15-8-12(21)9-17-18(15)19(22)25-20(24-17)29-14-5-3-13(4-6-14)23-11(2)28/h3-9H,21H2,1-2H3,(H,23,28)(H,26,27)(H2,22,24,25)