4-methyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-4-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-4-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-4-methyl-pyrimidine-5-carboxylic acid Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC=C1C(=O)O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c1-14-16(17(23)24)12-19-18(20-14)22-9-5-8-21(10-11-22)13-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,23,24)