(3,3,4a-trimethyl-1-methylsulfanyl-4,5-dihydropyrimido[1,6-a]benzimidazol-8-yl)-phenyl-methanone

Systemtic Name: (3,3,4a-trimethyl-1-methylsulfanyl-4,5-dihydropyrimido[1,6-a]benzimidazol-8-yl)-phenyl-methanone Openeye Name: (3,3,4a-trimethyl-1-methylsulfanyl-4,5-dihydropyrimido[1,6-a]benzimidazol-8-yl)-phenyl-methanone CAS Name: [3,3,4a-trimethyl-1-(methylthio)-4,5-dihydropyrimido[1,6-a]benzimidazol-8-yl]-phenylmethanone IUPAC Name: (3,3,4a-trimethyl-1-methylsulfanyl-4,5-dihydropyrimido[1,6-a]benzimidazol-8-yl)-phenylmethanone Traditional Name: [3,3,4a-trimethyl-1-(methylthio)-4,5-dihydropyrimido[1,6-a]benzimidazol-8-yl]-phenyl-methanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(NC3=C(N2C(=N1)SC)C=C(C=C3)C(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1(CC2(NC3=C(N2C(=N1)SC)C=C(C=C3)C(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H23N3OS/c1-20(2)13-21(3)22-16-11-10-15(18(25)14-8-6-5-7-9-14)12-17(16)24(21)19(23-20)26-4/h5-12,22H,13H2,1-4H3