6-methyl-5-octyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-octyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one Openeye Name: 2-(benzylamino)-6-methyl-5-octyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-octyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one IUPAC Name: 2-(benzylamino)-6-methyl-5-octyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylamino)-6-methyl-5-octyl-1H-pyrimidin-4-one Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C20H29N3O/c1-3-4-5-6-7-11-14-18-16(2)22-20(23-19(18)24)21-15-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H2,21,22,23,24)