6-(3-imidazol-1-ylprop-1-ynyl)-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine

Systemtic Name: 6-(3-imidazol-1-ylprop-1-ynyl)-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine Openeye Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-(3-imidazol-1-ylprop-1-ynyl)quinazolin-4-amine CAS Name: N-[1-(benzenesulfonyl)-5-indolyl]-6-[3-(1-imidazolyl)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-(3-imidazol-1-ylprop-1-ynyl)quinazolin-4-amine Traditional Name: (1-besylindol-5-yl)-[6-(3-imidazol-1-ylprop-1-ynyl)quinazolin-4-yl]amine Formula: C28H20N6O2S MolecularWeight: 504.5624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)NC4=NC=NC5=C4C=C(C=C5)C#CCN6C=CN=C6

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)NC4=NC=NC5=C4C=C(C=C5)C#CCN6C=CN=C6

InChI

InChI=1S/C28H20N6O2S/c35-37(36,24-6-2-1-3-7-24)34-15-12-22-18-23(9-11-27(22)34)32-28-25-17-21(8-10-26(25)30-19-31-28)5-4-14-33-16-13-29-20-33/h1-3,6-13,15-20H,14H2,(H,30,31,32)