2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]quinazolin-4-yl]amine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C22H21N5S/c23-21-16-10-4-5-11-17(16)24-20(26-21)14-28-22-25-18-12-6-7-13-19(18)27(22)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H2,23,24,26)