1-[(4-phenyl-1-propan-2-ylsulfonyl-piperidin-4-yl)methyl]-4H-quinazoline-2,4-diamine

Systemtic Name: 1-[(4-phenyl-1-propan-2-ylsulfonyl-piperidin-4-yl)methyl]-4H-quinazoline-2,4-diamine Openeye Name: 1-[(1-isopropylsulfonyl-4-phenyl-4-piperidyl)methyl]-4H-quinazoline-2,4-diamine CAS Name: 1-[(4-phenyl-1-propan-2-ylsulfonyl-4-piperidinyl)methyl]-4H-quinazoline-2,4-diamine IUPAC Name: 1-[(4-phenyl-1-propan-2-ylsulfonylpiperidin-4-yl)methyl]-4H-quinazoline-2,4-diamine Traditional Name: [2-amino-1-[(1-isopropylsulfonyl-4-phenyl-4-piperidyl)methyl]-4H-quinazolin-4-yl]amine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCC(CC1)(CN2C3=CC=CC=C3C(N=C2N)N)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC(CC1)(CN2C3=CC=CC=C3C(N=C2N)N)C4=CC=CC=C4

InChI

InChI=1S/C23H31N5O2S/c1-17(2)31(29,30)27-14-12-23(13-15-27,18-8-4-3-5-9-18)16-28-20-11-7-6-10-19(20)21(24)26-22(28)25/h3-11,17,21H,12-16,24H2,1-2H3,(H2,25,26)