N2-[phenethylsulfonyl(piperidin-4-yl)methyl]quinazoline-2,4-diamine

Systemtic Name: N2-[phenethylsulfonyl(piperidin-4-yl)methyl]quinazoline-2,4-diamine Openeye Name: N2-[phenethylsulfonyl(4-piperidyl)methyl]quinazoline-2,4-diamine CAS Name: N2-[phenethylsulfonyl(4-piperidinyl)methyl]quinazoline-2,4-diamine IUPAC Name: 2-N-[phenethylsulfonyl(piperidin-4-yl)methyl]quinazoline-2,4-diamine Traditional Name: (4-aminoquinazolin-2-yl)-[phenethylsulfonyl(4-piperidyl)methyl]amine Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(NC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CNCCC1C(NC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c23-20-18-8-4-5-9-19(18)25-22(26-20)27-21(17-10-13-24-14-11-17)30(28,29)15-12-16-6-2-1-3-7-16/h1-9,17,21,24H,10-15H2,(H3,23,25,26,27)