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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]amine Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN3CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN3CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H31N5O2/c1-2-4-12-27(11-3-1)22-9-10-24-23(26-22)25-21-6-5-13-28(21)17-18-7-8-19-20(16-18)30-15-14-29-19/h7-10,16,21H,1-6,11-15,17H2,(H,24,25,26)