N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-chloranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-chloranyl-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-chloro-benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-chloro-benzamide Formula: C20H16ClN5O5S MolecularWeight: 473.88954

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5O5S/c21-11-3-1-10(2-4-11)18(28)24-16-17(22)25-20(26-19(16)29)32-8-15(27)23-12-5-6-13-14(7-12)31-9-30-13/h1-7H,8-9H2,(H,23,27)(H,24,28)(H3,22,25,26,29)