6-methoxy-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)quinazoline

Systemtic Name: 6-methoxy-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)quinazoline Openeye Name: 6-methoxy-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)quinazoline CAS Name: 6-methoxy-7-[3-(4-methylsulfonyl-1-piperazinyl)propoxy]-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)quinazoline IUPAC Name: 6-methoxy-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)quinazoline Traditional Name: 7-[3-(4-mesylpiperazino)propoxy]-6-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)quinazoline Formula: C24H28N6O5S MolecularWeight: 512.58132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CN=C4C(=C3)C=CN4)OCCCN5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CN=C4C(=C3)C=CN4)OCCCN5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C24H28N6O5S/c1-33-21-13-19-20(27-16-28-24(19)35-18-12-17-4-5-25-23(17)26-15-18)14-22(21)34-11-3-6-29-7-9-30(10-8-29)36(2,31)32/h4-5,12-16H,3,6-11H2,1-2H3,(H,25,26)