N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethyl-1-piperazinyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide Traditional Name: 2-(4-ethylpiperazino)-4-methyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C(=N2)C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C(=N2)C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N5O3/c1-3-24-6-8-25(9-7-24)20-22-12-16(14(2)23-20)19(26)21-11-15-4-5-17-18(10-15)28-13-27-17/h4-5,10,12H,3,6-9,11,13H2,1-2H3,(H,21,26)