(4-butoxyphenyl)-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazin-1-yl]-(4-butoxyphenyl)methanone CAS Name: [4-(4-anilino-6-methyl-2-pyrimidinyl)-1-piperazinyl]-(4-butoxyphenyl)methanone IUPAC Name: [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-(4-butoxyphenyl)methanone Traditional Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazino]-(4-butoxyphenyl)methanone Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N5O2/c1-3-4-18-33-23-12-10-21(11-13-23)25(32)30-14-16-31(17-15-30)26-27-20(2)19-24(29-26)28-22-8-6-5-7-9-22/h5-13,19H,3-4,14-18H2,1-2H3,(H,27,28,29)