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

Systemtic Name: 5,6-dimethyl-7-phenethyl-4-piperazin-4-ium-1-yl-pyrrolo[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-7-phenethyl-4-piperazin-4-ium-1-yl-pyrrolo[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-7-phenethyl-4-(1-piperazin-4-iumyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-7-phenethyl-4-piperazin-4-ium-1-ylpyrrolo[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-7-phenethyl-4-piperazin-4-ium-1-yl-pyrrolo[2,3-d]pyrimidine Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N3CC[NH2+]CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N3CC[NH2+]CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C20H25N5/c1-15-16(2)25(11-8-17-6-4-3-5-7-17)20-18(15)19(22-14-23-20)24-12-9-21-10-13-24/h3-7,14,21H,8-13H2,1-2H3/p+1