4-(1-methylbenzimidazol-2-yl)sulfanyl-5-phenyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1-methylbenzimidazol-2-yl)sulfanyl-5-phenyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1-methylbenzimidazol-2-yl)sulfanyl-5-phenyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-[(1-methyl-2-benzimidazolyl)thio]-5-phenyl-2-(1-pyrrolidinylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1-methylbenzimidazol-2-yl)sulfanyl-5-phenyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-[(1-methylbenzimidazol-2-yl)thio]-5-phenyl-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidine Formula: C25H23N5S2 MolecularWeight: 457.61362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SC3=NC(=NC4=C3C(=CS4)C5=CC=CC=C5)CN6CCCC6

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SC3=NC(=NC4=C3C(=CS4)C5=CC=CC=C5)CN6CCCC6

InChI

InChI=1S/C25H23N5S2/c1-29-20-12-6-5-11-19(20)26-25(29)32-24-22-18(17-9-3-2-4-10-17)16-31-23(22)27-21(28-24)15-30-13-7-8-14-30/h2-6,9-12,16H,7-8,13-15H2,1H3