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

Systemtic Name: 5,6-dimethyl-7-(phenylmethyl)-4-piperazin-4-ium-1-yl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-5,6-dimethyl-4-piperazin-4-ium-1-yl-pyrrolo[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-7-(phenylmethyl)-4-(1-piperazin-4-iumyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-5,6-dimethyl-4-piperazin-4-ium-1-ylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-5,6-dimethyl-4-piperazin-4-ium-1-yl-pyrrolo[2,3-d]pyrimidine Formula: C19H24N5+ MolecularWeight: 322.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N3CC[NH2+]CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N3CC[NH2+]CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H23N5/c1-14-15(2)24(12-16-6-4-3-5-7-16)19-17(14)18(21-13-22-19)23-10-8-20-9-11-23/h3-7,13,20H,8-12H2,1-2H3/p+1