3-[[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-8-[(3-methylphenoxy)methyl]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
28
H
27
N
5
O
2
S
InChI:
InChI=1/C28H27N5O2S/c1-16-7-6-8-22(12-16)35-15-25-31-33-26(29)23(27(34)30-28(33)36-25)14-21-13-19(4)32(20(21)5)24-10-9-17(2)11-18(24)3/h6-14,29H,15H2,1-5H3/b23-14u,29-26-
InChIKey:
InChIKey=NYJZIZFANNEWBV-PJUHEJCEBP
SMILES:
CC1=CC(=CC=C1)OCC2=NN3C(=N)C(=CC4=C(N(C(=C4)C)C5=C(C=C(C=C5)C)C)C)C(=O)N=C3S2
Names:
3-[[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-8-[(3-methylphenoxy)methyl]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 3552731
PubChem ID 4803977