2-azanyl-5-[(3-heptoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[(3-heptoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-amino-5-[(3-heptoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-amino-5-[(3-heptoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-[(3-heptoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-amino-5-(3-heptoxybenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)CC2=C(NC(=NC2=O)N)C

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)CC2=C(NC(=NC2=O)N)C

InChI

InChI=1S/C19H27N3O2/c1-3-4-5-6-7-11-24-16-10-8-9-15(12-16)13-17-14(2)21-19(20)22-18(17)23/h8-10,12H,3-7,11,13H2,1-2H3,(H3,20,21,22,23)