1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione

Systemtic Name: 1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione Openeye Name: 1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione CAS Name: 1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione IUPAC Name: 1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione Traditional Name: 1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=S)N=C(N2CCCCCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=S)N=C(N2CCCCCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5)C

InChI

InChI=1S/C27H30N4OS/c1-27(2)17-23-20(18-32-27)26(33)30-25(19-11-5-3-6-12-19)31(23)16-10-4-7-15-24-28-21-13-8-9-14-22(21)29-24/h3,5-6,8-9,11-14H,4,7,10,15-18H2,1-2H3,(H,28,29)