6-azanyl-2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethylsulfanyl]-6-amino-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethylthio]-6-amino-1H-pyrimidin-4-one Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C16H19N3O3S/c1-3-4-11-5-6-12(13(9-11)21-2)22-7-8-23-16-18-14(17)10-15(20)19-16/h3,5-6,9-10H,1,4,7-8H2,2H3,(H3,17,18,19,20)