3-[5-[(3S)-1-azanyl-3-methyl-4H-pyrimido[1,6-a]benzimidazol-3-yl]thiophen-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-[(3S)-1-azanyl-3-methyl-4H-pyrimido[1,6-a]benzimidazol-3-yl]thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[(3S)-1-amino-3-methyl-4H-pyrimido[1,6-a]benzimidazol-3-yl]-3-thienyl]benzonitrile CAS Name: 3-[5-[(3S)-1-amino-3-methyl-4H-pyrimido[1,6-a]benzimidazol-3-yl]-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-[(3S)-1-amino-3-methyl-4H-pyrimido[1,6-a]benzimidazol-3-yl]thiophen-3-yl]benzonitrile Traditional Name: 3-[5-[(3S)-1-amino-3-methyl-4H-pyrimido[1,6-a]benzimidazol-3-yl]-3-thienyl]benzonitrile Formula: C22H17N5S MolecularWeight: 383.46888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=CC=CC=C3N2C(=N1)N)C4=CC(=CS4)C5=CC=CC(=C5)C#N

Isomeric SMILES

C[C@]1(CC2=NC3=CC=CC=C3N2C(=N1)N)C4=CC(=CS4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C22H17N5S/c1-22(19-10-16(13-28-19)15-6-4-5-14(9-15)12-23)11-20-25-17-7-2-3-8-18(17)27(20)21(24)26-22/h2-10,13H,11H2,1H3,(H2,24,26)/t22-/m0/s1