5-methoxy-1,2-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)indole-4,7-dione

Systemtic Name: 5-methoxy-1,2-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)indole-4,7-dione Openeye Name: 5-methoxy-1,2-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)indole-4,7-dione CAS Name: 5-methoxy-1,2-dimethyl-3-[(2-pyrimidinylthio)methyl]indole-4,7-dione IUPAC Name: 5-methoxy-1,2-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)indole-4,7-dione Traditional Name: 5-methoxy-1,2-dimethyl-3-[(2-pyrimidylthio)methyl]indole-4,7-quinone Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)CSC3=NC=CC=N3

InChI

InChI=1S/C16H15N3O3S/c1-9-10(8-23-16-17-5-4-6-18-16)13-14(19(9)2)11(20)7-12(22-3)15(13)21/h4-7H,8H2,1-3H3