3-ethylsulfanyl-2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-phenylmethoxy-benzene-1,4-diol

Systemtic Name: 3-ethylsulfanyl-2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-phenylmethoxy-benzene-1,4-diol Openeye Name: 5-benzyloxy-3-ethylsulfanyl-2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]benzene-1,4-diol CAS Name: 3-(ethylthio)-2-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-5-phenylmethoxybenzene-1,4-diol IUPAC Name: 3-ethylsulfanyl-2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-phenylmethoxybenzene-1,4-diol Traditional Name: 5-benzoxy-3-(ethylthio)-2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]hydroquinone Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=CC(=C1O)OCC2=CC=CC=C2)O)NC3=NC=NC4=CC(=C(C=C43)OC)OCCOC

Isomeric SMILES

CCSC1=C(C(=CC(=C1O)OCC2=CC=CC=C2)O)NC3=NC=NC4=CC(=C(C=C43)OC)OCCOC

InChI

InChI=1S/C27H29N3O6S/c1-4-37-26-24(20(31)14-23(25(26)32)36-15-17-8-6-5-7-9-17)30-27-18-12-21(34-3)22(35-11-10-33-2)13-19(18)28-16-29-27/h5-9,12-14,16,31-32H,4,10-11,15H2,1-3H3,(H,28,29,30)