N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C27H22N4O3/c1-32-21-10-8-20(9-11-21)31-15-22(19-5-3-2-4-6-19)25-26(29-16-30-27(25)31)28-14-18-7-12-23-24(13-18)34-17-33-23/h2-13,15-16H,14,17H2,1H3,(H,28,29,30)