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

Systemtic Name: 5-but-2-ynyl-4-oxidanylidene-6-piperazin-1-yl-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-but-2-ynyl-4-oxo-6-piperazin-1-yl-3-(4-quinolylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-but-2-ynyl-4-oxo-6-(1-piperazinyl)-3-(4-quinolinylmethyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-but-2-ynyl-4-oxo-6-piperazin-1-yl-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-but-2-ynyl-4-keto-6-piperazino-3-(4-quinolylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C25H23N7O MolecularWeight: 437.49642

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=C1N3CCNCC3)C#N)N=CN(C2=O)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC#CCN1C2=C(C(=C1N3CCNCC3)C#N)N=CN(C2=O)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H23N7O/c1-2-3-12-32-23-22(20(15-26)24(32)30-13-10-27-11-14-30)29-17-31(25(23)33)16-18-8-9-28-21-7-5-4-6-19(18)21/h4-9,17,27H,10-14,16H2,1H3