2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]naphthalen-1-ol

Systemtic Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]naphthalen-1-ol Openeye Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]naphthalen-1-ol CAS Name: 2-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]-1-naphthalenol IUPAC Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]naphthalen-1-ol Traditional Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-1-naphthol Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=C(C4=CC=CC=C4C=C3)O)N5CCC5

Isomeric SMILES

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=C(C4=CC=CC=C4C=C3)O)N5CCC5

InChI

InChI=1S/C24H29N5O/c30-22-19-7-2-1-5-17(19)8-9-20(22)23(29-15-4-16-29)28-24-26-14-11-21(27-24)18-6-3-12-25-13-10-18/h1-2,5,7-9,11,14,18,23,25,30H,3-4,6,10,12-13,15-16H2,(H,26,27,28)