3-[2-[4-[(1-propan-2-ylsulfonylindol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(1-propan-2-ylsulfonylindol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[(1-isopropylsulfonylindol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[(1-propan-2-ylsulfonyl-5-indolyl)amino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[(1-propan-2-ylsulfonylindol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[(1-isopropylsulfonylindol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C=CC2=C1C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O

Isomeric SMILES

CC(C)S(=O)(=O)N1C=CC2=C1C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O

InChI

InChI=1S/C26H27N5O3S/c1-18(2)35(33,34)31-13-9-20-15-21(5-7-24(20)31)30-25-22-14-19(4-6-23(22)28-17-29-25)8-11-26(32)10-3-12-27-16-26/h4-7,9,13-15,17-18,27,32H,3,10,12,16H2,1-2H3,(H,28,29,30)