7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[1-(phenylmethyl)indazol-5-yl]quinazolin-4-amine

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[1-(phenylmethyl)indazol-5-yl]quinazolin-4-amine Openeye Name: N-(1-benzylindazol-5-yl)-7-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-[1-(phenylmethyl)-5-indazolyl]-4-quinazolinamine IUPAC Name: N-(1-benzylindazol-5-yl)-7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Traditional Name: (1-benzylindazol-5-yl)-[7-[4-[(2-mesylethylamino)methyl]-2-furyl]quinazolin-4-yl]amine Formula: C30H28N6O3S MolecularWeight: 552.64672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

InChI

InChI=1S/C30H28N6O3S/c1-40(37,38)12-11-31-16-22-13-29(39-19-22)23-7-9-26-27(15-23)32-20-33-30(26)35-25-8-10-28-24(14-25)17-34-36(28)18-21-5-3-2-4-6-21/h2-10,13-15,17,19-20,31H,11-12,16,18H2,1H3,(H,32,33,35)