N4-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-N2-pentyl-quinazoline-2,4-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-N2-pentyl-quinazoline-2,4-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N2-pentyl-quinazoline-2,4-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N2-pentylquinazoline-2,4-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-N-pentylquinazoline-2,4-diamine Traditional Name: amyl-[6-chloro-4-(piperonylamino)quinazolin-2-yl]amine Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCNC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN4O2/c1-2-3-4-9-23-21-25-17-7-6-15(22)11-16(17)20(26-21)24-12-14-5-8-18-19(10-14)28-13-27-18/h5-8,10-11H,2-4,9,12-13H2,1H3,(H2,23,24,25,26)