N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-quinazolin-4-amine

Systemtic Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-quinazolin-4-amine Openeye Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-quinazolin-4-amine CAS Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3,4-dimethoxyphenyl)thio]-4-quinazolinamine IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethoxyphenyl)sulfanylquinazolin-4-amine Traditional Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[2-[(3,4-dimethoxyphenyl)thio]quinazolin-4-yl]amine Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)OC

InChI

InChI=1S/C22H21N5O2S/c1-28-18-10-9-14(11-19(18)29-2)30-22-23-16-6-4-3-5-15(16)21(25-22)24-20-12-17(26-27-20)13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H2,23,24,25,26,27)