5-but-2-ynyl-4-oxidanylidene-3-phenacyl-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-but-2-ynyl-4-oxidanylidene-3-phenacyl-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-but-2-ynyl-4-oxo-3-phenacyl-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-but-2-ynyl-4-oxo-3-phenacyl-6-(1-piperazinyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-but-2-ynyl-4-oxo-3-phenacyl-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-but-2-ynyl-4-keto-3-phenacyl-6-piperazino-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=C1N3CCNCC3)C#N)N=CN(C2=O)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(C(=C1N3CCNCC3)C#N)N=CN(C2=O)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N6O2/c1-2-3-11-29-21-20(18(14-24)22(29)27-12-9-25-10-13-27)26-16-28(23(21)31)15-19(30)17-7-5-4-6-8-17/h4-8,16,25H,9-13,15H2,1H3