2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(furan-2-ylmethyl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(furan-2-ylmethyl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-furylmethyl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(furan-2-ylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-(2-furfuryl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-quinone Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)CSC5=NC6=CC=CC=C6N5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)CSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C25H19N5O3S/c1-29-19-11-5-2-8-16(19)22(31)21-23(29)28-20(30(24(21)32)13-15-7-6-12-33-15)14-34-25-26-17-9-3-4-10-18(17)27-25/h2-12H,13-14H2,1H3,(H,26,27)