N-(4-ethoxyphenyl)-4-(2-methyl-6-propoxy-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-4-(2-methyl-6-propoxy-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-(2-methyl-6-propoxy-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-(2-methyl-6-propoxy-4-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: 4-(2-methyl-6-propoxy-pyrimidin-4-yl)-N-p-phenetyl-piperazine-1-carboxamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)OCC)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)OCC)C

InChI

InChI=1S/C21H29N5O3/c1-4-14-29-20-15-19(22-16(3)23-20)25-10-12-26(13-11-25)21(27)24-17-6-8-18(9-7-17)28-5-2/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,27)