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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(1,3-benzodioxol-4-ylmethyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]amine Formula: C22H29N5O2 MolecularWeight: 395.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C22H29N5O2/c1-2-4-12-27(11-3-1)20-8-10-23-22(25-20)24-18-9-13-26(15-18)14-17-6-5-7-19-21(17)29-16-28-19/h5-8,10,18H,1-4,9,11-16H2,(H,23,24,25)