N-cyclopropyl-4-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: N-cyclopropyl-4-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: N-cyclopropyl-4-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-piperidyl]pyrimidin-2-amine CAS Name: N-cyclopropyl-4-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: N-cyclopropyl-4-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: cyclopropyl-[4-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-piperidyl]pyrimidin-2-yl]amine Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2COC3=CC=CC=C3O2)C4=NC(=NC=C4)NC5CC5

Isomeric SMILES

C1CC(CN(C1)CC[C@H]2COC3=CC=CC=C3O2)C4=NC(=NC=C4)NC5CC5

InChI

InChI=1S/C22H28N4O2/c1-2-6-21-20(5-1)27-15-18(28-21)10-13-26-12-3-4-16(14-26)19-9-11-23-22(25-19)24-17-7-8-17/h1-2,5-6,9,11,16-18H,3-4,7-8,10,12-15H2,(H,23,24,25)/t16?,18-/m0/s1