(3R,4R)-4-azanyl-1-[[4-[(3-methoxyphenyl)amino]quinazolin-5-yl]methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-azanyl-1-[[4-[(3-methoxyphenyl)amino]quinazolin-5-yl]methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol CAS Name: (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)-5-quinazolinyl]methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-amino-1-[[4-(m-anisidino)quinazolin-5-yl]methyl]piperidin-3-ol Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC(=C32)CN4CCC(C(C4)O)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC(=C32)CN4CC[C@H]([C@@H](C4)O)N

InChI

InChI=1S/C21H25N5O2/c1-28-16-6-3-5-15(10-16)25-21-20-14(4-2-7-18(20)23-13-24-21)11-26-9-8-17(22)19(27)12-26/h2-7,10,13,17,19,27H,8-9,11-12,22H2,1H3,(H,23,24,25)/t17-,19-/m1/s1