ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]ethylamino]-4,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidine-5-carboxylate Traditional Name: 2-[2-[4-(1,3-benzodioxol-5-yl)piperazino]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H29N5O4/c1-4-29-21(28)20-15(2)24-22(25-16(20)3)23-7-8-26-9-11-27(12-10-26)17-5-6-18-19(13-17)31-14-30-18/h5-6,13H,4,7-12,14H2,1-3H3,(H,23,24,25)