2-(1,3-benzoxazol-2-ylamino)-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylamino)-6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)N=C(N2)NC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)N=C(N2)NC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C18H16N6O2S/c1-10-7-11(2)20-18(19-10)27-9-12-8-15(25)23-16(21-12)24-17-22-13-5-3-4-6-14(13)26-17/h3-8H,9H2,1-2H3,(H2,21,22,23,24,25)