ethyl 4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-2-32-25(31)29-15-13-28(14-16-29)23-22-21(19-9-5-3-6-10-19)17-30(24(22)27-18-26-23)20-11-7-4-8-12-20/h3-12,17-18H,2,13-16H2,1H3