N-(1,3-benzodioxol-5-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N6O3/c27-20(23-15-3-4-16-17(11-15)29-14-28-16)26-9-7-25(8-10-26)19-12-18(21-13-22-19)24-5-1-2-6-24/h3-4,11-13H,1-2,5-10,14H2,(H,23,27)