6-azanyl-2-[3-(2-methoxy-4-prop-2-enyl-phenoxy)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[3-(2-methoxy-4-prop-2-enyl-phenoxy)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[3-(4-allyl-2-methoxy-phenoxy)propylsulfanyl]-6-amino-1H-pyrimidin-4-one CAS Name: 6-amino-2-[3-(2-methoxy-4-prop-2-enylphenoxy)propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[3-(2-methoxy-4-prop-2-enylphenoxy)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 2-[3-(4-allyl-2-methoxy-phenoxy)propylthio]-6-amino-1H-pyrimidin-4-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C17H21N3O3S/c1-3-5-12-6-7-13(14(10-12)22-2)23-8-4-9-24-17-19-15(18)11-16(21)20-17/h3,6-7,10-11H,1,4-5,8-9H2,2H3,(H3,18,19,20,21)