N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-7-cyclopentyloxy-6-methoxy-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-7-cyclopentyloxy-6-methoxy-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-(cyclopentoxy)-6-methoxy-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-cyclopentyloxy-6-methoxy-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-cyclopentyloxy-6-methoxyquinazolin-4-amine Traditional Name: [2-chloro-7-(cyclopentoxy)-6-methoxy-quinazolin-4-yl]-piperonyl-amine Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC4=C(C=C3)OCO4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC4=C(C=C3)OCO4)OC5CCCC5

InChI

InChI=1S/C22H22ClN3O4/c1-27-18-9-15-16(10-20(18)30-14-4-2-3-5-14)25-22(23)26-21(15)24-11-13-6-7-17-19(8-13)29-12-28-17/h6-10,14H,2-5,11-12H2,1H3,(H,24,25,26)