1-[2-(1,3-benzodioxol-5-ylamino)-6-phenyl-pyrimidin-4-yl]piperidin-4-ol

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylamino)-6-phenyl-pyrimidin-4-yl]piperidin-4-ol Openeye Name: 1-[2-(1,3-benzodioxol-5-ylamino)-6-phenyl-pyrimidin-4-yl]piperidin-4-ol CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-6-phenyl-4-pyrimidinyl]-4-piperidinol IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylamino)-6-phenylpyrimidin-4-yl]piperidin-4-ol Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-6-phenyl-pyrimidin-4-yl]piperidin-4-ol Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1O)C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O3/c27-17-8-10-26(11-9-17)21-13-18(15-4-2-1-3-5-15)24-22(25-21)23-16-6-7-19-20(12-16)29-14-28-19/h1-7,12-13,17,27H,8-11,14H2,(H,23,24,25)