5-azanyl-2-cyclohexyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-2-cyclohexyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 5-amino-2-cyclohexyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-amino-2-cyclohexyl-6-[(E)-(2-methyl-3-indolylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 5-amino-2-cyclohexyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 5-amino-2-cyclohexyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=CC3=C(N4C(=NC3=O)SC(=N4)C5CCCCC5)N

Isomeric SMILES

CC\1=NC2=CC=CC=C2/C1=C\C3=C(N4C(=NC3=O)SC(=N4)C5CCCCC5)N

InChI

InChI=1S/C21H21N5OS/c1-12-15(14-9-5-6-10-17(14)23-12)11-16-18(22)26-21(24-19(16)27)28-20(25-26)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,22H2,1H3/b15-11-