(3,4-diethoxyphenyl)-[4-[4-(ethylamino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-[4-(ethylamino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-[4-(ethylamino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-[4-(ethylamino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-[4-(ethylamino)-6-methyl-pyrimidin-2-yl]piperazino]methanone Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCNC1=NC(=NC(=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C22H31N5O3/c1-5-23-20-14-16(4)24-22(25-20)27-12-10-26(11-13-27)21(28)17-8-9-18(29-6-2)19(15-17)30-7-3/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,23,24,25)