4-(azepan-1-yl)-N-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2-benzofuranylmethyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(benzofuran-2-ylmethyl)pyrrolidin-3-yl]amine Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H29N5O/c1-2-6-13-28(12-5-1)22-9-11-24-23(26-22)25-19-10-14-27(16-19)17-20-15-18-7-3-4-8-21(18)29-20/h3-4,7-9,11,15,19H,1-2,5-6,10,12-14,16-17H2,(H,24,25,26)