N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)-5-methyl-furo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)-5-methyl-furo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)-5-methyl-furo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)-5-methyl-4-furo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine Traditional Name: [6-(4-chlorophenyl)-5-methyl-furo[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(OC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-12-18-20(23-9-13-2-7-16-17(8-13)27-11-26-16)24-10-25-21(18)28-19(12)14-3-5-15(22)6-4-14/h2-8,10H,9,11H2,1H3,(H,23,24,25)