N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylsulfanyl-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylsulfanyl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylsulfanyl-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-(methylthio)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylsulfanylquinazolin-4-amine Traditional Name: 2-methoxyethyl-[6-(methylthio)quinazolin-4-yl]-piperonyl-amine Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=C3C=C(C=C4)SC

Isomeric SMILES

COCCN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=C3C=C(C=C4)SC

InChI

InChI=1S/C20H21N3O3S/c1-24-8-7-23(11-14-3-6-18-19(9-14)26-13-25-18)20-16-10-15(27-2)4-5-17(16)21-12-22-20/h3-6,9-10,12H,7-8,11,13H2,1-2H3