6-azanyl-2-[3-(2-chloranyl-4-methyl-phenoxy)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[3-(2-chloranyl-4-methyl-phenoxy)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[3-(2-chloro-4-methyl-phenoxy)propylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[3-(2-chloro-4-methylphenoxy)propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[3-(2-chloro-4-methylphenoxy)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[3-(2-chloro-4-methyl-phenoxy)propylthio]-1H-pyrimidin-4-one Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCSC2=NC(=O)C=C(N2)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCSC2=NC(=O)C=C(N2)N)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-9-3-4-11(10(15)7-9)20-5-2-6-21-14-17-12(16)8-13(19)18-14/h3-4,7-8H,2,5-6H2,1H3,(H3,16,17,18,19)