methyl 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylbenzoate Openeye Name: methyl 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylbenzoate CAS Name: 2-[[2-[[[4-(cyclopentylamino)-2-quinazolinyl]amino]methyl]phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylbenzoate Traditional Name: 2-[[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]thio]benzoic acid methyl ester Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=CC=CC=C2CNC3=NC4=CC=CC=C4C(=N3)NC5CCCC5

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=CC=CC=C2CNC3=NC4=CC=CC=C4C(=N3)NC5CCCC5

InChI

InChI=1S/C28H28N4O2S/c1-34-27(33)22-14-6-9-17-25(22)35-24-16-8-2-10-19(24)18-29-28-31-23-15-7-5-13-21(23)26(32-28)30-20-11-3-4-12-20/h2,5-10,13-17,20H,3-4,11-12,18H2,1H3,(H2,29,30,31,32)