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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C28H24N4O3/c1-2-33-22-11-9-21(10-12-22)32-16-23(20-6-4-3-5-7-20)26-27(30-17-31-28(26)32)29-15-19-8-13-24-25(14-19)35-18-34-24/h3-14,16-17H,2,15,18H2,1H3,(H,29,30,31)