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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C27H21ClN4O2 MolecularWeight: 468.93424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C27H21ClN4O2/c1-17-7-9-20(12-22(17)28)32-14-21(19-5-3-2-4-6-19)25-26(30-15-31-27(25)32)29-13-18-8-10-23-24(11-18)34-16-33-23/h2-12,14-15H,13,16H2,1H3,(H,29,30,31)