2-[4-(1-azanylethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1-azanylethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1-aminoethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[4-(1-aminoethyl)phenyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1-aminoethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[4-(1-aminoethyl)phenyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=CC=C(C=C2)C(C)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=CC=C(C=C2)C(C)N

InChI

InChI=1S/C13H15N3OS/c1-8-7-12(17)16-13(15-8)18-11-5-3-10(4-6-11)9(2)14/h3-7,9H,14H2,1-2H3,(H,15,16,17)