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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(furan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(2-furylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2-furanylmethyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(furan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2-furfuryl)pyrrolidin-3-yl]amine Formula: C19H27N5O MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CO4

InChI

InChI=1S/C19H27N5O/c1-2-4-11-24(10-3-1)18-7-9-20-19(22-18)21-16-8-12-23(14-16)15-17-6-5-13-25-17/h5-7,9,13,16H,1-4,8,10-12,14-15H2,(H,20,21,22)