2-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8-methyl-quinazolin-4-amine

Systemtic Name: 2-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8-methyl-quinazolin-4-amine Openeye Name: 2-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8-methyl-quinazolin-4-amine CAS Name: 2-[(4-aminophenyl)thio]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8-methyl-4-quinazolinamine IUPAC Name: 2-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8-methylquinazolin-4-amine Traditional Name: [2-[(4-aminophenyl)thio]-8-methyl-quinazolin-4-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)amine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=NNC(=C3)C4CC4)SC5=CC=C(C=C5)N

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=NNC(=C3)C4CC4)SC5=CC=C(C=C5)N

InChI

InChI=1S/C21H20N6S/c1-12-3-2-4-16-19(12)24-21(28-15-9-7-14(22)8-10-15)25-20(16)23-18-11-17(26-27-18)13-5-6-13/h2-4,7-11,13H,5-6,22H2,1H3,(H2,23,24,25,26,27)