6-[2-(phenylmethyl)piperidin-1-yl]sulfonylquinazoline-2,4-diamine

Systemtic Name: 6-[2-(phenylmethyl)piperidin-1-yl]sulfonylquinazoline-2,4-diamine Openeye Name: 6-[(2-benzyl-1-piperidyl)sulfonyl]quinazoline-2,4-diamine CAS Name: 6-[[2-(phenylmethyl)-1-piperidinyl]sulfonyl]quinazoline-2,4-diamine IUPAC Name: 6-(2-benzylpiperidin-1-yl)sulfonylquinazoline-2,4-diamine Traditional Name: [2-amino-6-(2-benzylpiperidino)sulfonyl-quinazolin-4-yl]amine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N

InChI

InChI=1S/C20H23N5O2S/c21-19-17-13-16(9-10-18(17)23-20(22)24-19)28(26,27)25-11-5-4-8-15(25)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,13,15H,4-5,8,11-12H2,(H4,21,22,23,24)