4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidyl]amine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H33N5O2/c1-2-4-13-29(12-3-1)23-9-10-25-24(27-23)26-20-6-5-11-28(18-20)17-19-7-8-21-22(16-19)31-15-14-30-21/h7-10,16,20H,1-6,11-15,17-18H2,(H,25,26,27)