4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde

Systemtic Name: 4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde Openeye Name: 4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde CAS Name: 4-(5,6-dimethyl-7-phenethyl-4-pyrrolo[2,3-d]pyrimidinyl)-1-piperazinecarboxaldehyde IUPAC Name: 4-(5,6-dimethyl-7-phenethylpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde Traditional Name: 4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N3CCN(CC3)C=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N3CCN(CC3)C=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5O/c1-16-17(2)26(9-8-18-6-4-3-5-7-18)21-19(16)20(22-14-23-21)25-12-10-24(15-27)11-13-25/h3-7,14-15H,8-13H2,1-2H3