N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine Openeye Name: N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine CAS Name: N-(4-methoxyphenyl)-2-(4-methylsulfonyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine Traditional Name: [2-(4-mesylpiperazino)quinazolin-4-yl]-(4-methoxyphenyl)amine Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H23N5O3S/c1-28-16-9-7-15(8-10-16)21-19-17-5-3-4-6-18(17)22-20(23-19)24-11-13-25(14-12-24)29(2,26)27/h3-10H,11-14H2,1-2H3,(H,21,22,23)