6-azanyl-5-[2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanylethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanylethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(5-chloro-1-methyl-benzimidazol-2-yl)sulfanylacetyl]-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(5-chloro-1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-cyclopropylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(5-chloro-1-methyl-benzimidazol-2-yl)thio]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C17H16ClN5O3S MolecularWeight: 405.85864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C17H16ClN5O3S/c1-22-11-5-2-8(18)6-10(11)20-17(22)27-7-12(24)13-14(19)23(9-3-4-9)16(26)21-15(13)25/h2,5-6,9H,3-4,7,19H2,1H3,(H,21,25,26)