ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carbonyl]amino]acetate CAS Name: 2-[[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidine-5-carbonyl]amino]acetate Traditional Name: 2-[[4-methyl-2-(piperonylamino)pyrimidine-5-carbonyl]amino]acetic acid ethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N4O5/c1-3-25-16(23)9-19-17(24)13-8-21-18(22-11(13)2)20-7-12-4-5-14-15(6-12)27-10-26-14/h4-6,8H,3,7,9-10H2,1-2H3,(H,19,24)(H,20,21,22)