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

Systemtic Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethylphenyl)sulfanyl-quinazolin-4-amine Openeye Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethylphenyl)sulfanyl-quinazolin-4-amine CAS Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3,4-dimethylphenyl)thio]-4-quinazolinamine IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dimethylphenyl)sulfanylquinazolin-4-amine Traditional Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[2-[(3,4-dimethylphenyl)thio]quinazolin-4-yl]amine Formula: C22H21N5S MolecularWeight: 387.50064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C

InChI

InChI=1S/C22H21N5S/c1-13-7-10-16(11-14(13)2)28-22-23-18-6-4-3-5-17(18)21(25-22)24-20-12-19(26-27-20)15-8-9-15/h3-7,10-12,15H,8-9H2,1-2H3,(H2,23,24,25,26,27)