5-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine

Systemtic Name: 5-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine Openeye Name: 5-[[1-(m-tolylsulfonyl)-4-piperidyl]methoxy]quinazoline-2,4-diamine CAS Name: 5-[[1-(3-methylphenyl)sulfonyl-4-piperidinyl]methoxy]quinazoline-2,4-diamine IUPAC Name: 5-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine Traditional Name: [2-amino-5-[[1-(m-tolylsulfonyl)-4-piperidyl]methoxy]quinazolin-4-yl]amine Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)COC3=CC=CC4=C3C(=NC(=N4)N)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)COC3=CC=CC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C21H25N5O3S/c1-14-4-2-5-16(12-14)30(27,28)26-10-8-15(9-11-26)13-29-18-7-3-6-17-19(18)20(22)25-21(23)24-17/h2-7,12,15H,8-11,13H2,1H3,(H4,22,23,24,25)