2-[[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-butyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-butyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-butyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-6-butyl-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-butylpyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[4-(1,3-benzodioxol-5-yl)piperazino]-6-butyl-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)N2CCN(CC2)C3=CC4=C(C=C3)OCO4)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=NC(=N1)N2CCN(CC2)C3=CC4=C(C=C3)OCO4)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C25H35N5O4/c1-4-5-6-18-14-23(27-20(24(31)32)13-17(2)3)28-25(26-18)30-11-9-29(10-12-30)19-7-8-21-22(15-19)34-16-33-21/h7-8,14-15,17,20H,4-6,9-13,16H2,1-3H3,(H,31,32)(H,26,27,28)