N2-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-8-methoxy-quinazoline-2,4-diamine

Systemtic Name: N2-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-8-methoxy-quinazoline-2,4-diamine Openeye Name: N2-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-8-methoxy-quinazoline-2,4-diamine CAS Name: N2-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-8-methoxyquinazoline-2,4-diamine IUPAC Name: 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclohexyl-8-methoxyquinazoline-2,4-diamine Traditional Name: 1,3-benzodioxol-5-yl-[4-(cyclohexylamino)-8-methoxy-quinazolin-2-yl]amine Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(N=C2NC3CCCCC3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC2=C1N=C(N=C2NC3CCCCC3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3/c1-27-18-9-5-8-16-20(18)25-22(26-21(16)23-14-6-3-2-4-7-14)24-15-10-11-17-19(12-15)29-13-28-17/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,23,24,25,26)