2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N6O3S/c1-12-8-18(27-26-12)24-19(28)10-31-21-23-15-5-3-2-4-14(15)20(25-21)22-13-6-7-16-17(9-13)30-11-29-16/h2-9H,10-11H2,1H3,(H,22,23,25)(H2,24,26,27,28)