6-(1,3-benzodioxol-5-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine Openeye Name: 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thienyl)methyl]quinazolin-4-amine CAS Name: 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine Traditional Name: [6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]-[(4-methyl-2-thienyl)methyl]amine Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CSC(=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O2S/c1-13-6-16(27-10-13)9-22-21-17-7-14(2-4-18(17)23-11-24-21)15-3-5-19-20(8-15)26-12-25-19/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)