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

Systemtic Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylamino)-6-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-6-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=O)N=C(N3)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=O)N=C(N3)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H17N5O3S2/c1-2-28-13-7-8-15-17(10-13)31-21(24-15)30-11-12-9-18(27)25-19(22-12)26-20-23-14-5-3-4-6-16(14)29-20/h3-10H,2,11H2,1H3,(H2,22,23,25,26,27)