4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5,6-dimethyl-7-phenethylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-7-phenethylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidine Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=C(N3CCC4=CC=CC=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=C(N3CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H29N5/c1-4-25-12-14-26(15-13-25)21-20-17(2)18(3)27(22(20)24-16-23-21)11-10-19-8-6-5-7-9-19/h5-9,16H,4,10-15H2,1-3H3/p+1