(6Z)-5-azanylidene-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6Z)-5-azanylidene-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylene]-2-(1-ethylpropyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)-3-indolyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-2-(1-ethylpropyl)-5-imino-6-[(1-piperonylindol-3-yl)methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN2C(=N)C(=CC3=CN(C4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6)C(=O)N=C2S1

Isomeric SMILES

CCC(CC)C1=NN2C(=N)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6)/C(=O)N=C2S1

InChI

InChI=1S/C27H25N5O3S/c1-3-17(4-2)26-30-32-24(28)20(25(33)29-27(32)36-26)12-18-14-31(21-8-6-5-7-19(18)21)13-16-9-10-22-23(11-16)35-15-34-22/h5-12,14,17,28H,3-4,13,15H2,1-2H3/b20-12-,28-24?