[4-methyl-2-(2-phenylhexylamino)-6-propan-2-yl-pyrimidin-5-yl] methanoate

Systemtic Name: [4-methyl-2-(2-phenylhexylamino)-6-propan-2-yl-pyrimidin-5-yl] methanoate Openeye Name: [4-isopropyl-6-methyl-2-(2-phenylhexylamino)pyrimidin-5-yl] formate CAS Name: formic acid [4-methyl-2-(2-phenylhexylamino)-6-propan-2-yl-5-pyrimidinyl] ester IUPAC Name: [4-methyl-2-(2-phenylhexylamino)-6-propan-2-ylpyrimidin-5-yl] formate Traditional Name: formic acid [4-isopropyl-6-methyl-2-(2-phenylhexylamino)pyrimidin-5-yl] ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=C(C(=N1)C(C)C)OC=O)C)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CNC1=NC(=C(C(=N1)C(C)C)OC=O)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3O2/c1-5-6-10-18(17-11-8-7-9-12-17)13-22-21-23-16(4)20(26-14-25)19(24-21)15(2)3/h7-9,11-12,14-15,18H,5-6,10,13H2,1-4H3,(H,22,23,24)