5-(cyclobutylmethyl)-3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(cyclobutylmethyl)-3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(cyclobutylmethyl)-3-[2-(3-methoxyphenyl)-2-oxo-ethyl]-4-oxo-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(cyclobutylmethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-6-(1-piperazinyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(cyclobutylmethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(cyclobutylmethyl)-4-keto-3-[2-keto-2-(3-methoxyphenyl)ethyl]-6-piperazino-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C(C2=O)N(C(=C3C#N)N4CCNCC4)CC5CCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C(C2=O)N(C(=C3C#N)N4CCNCC4)CC5CCC5

InChI

InChI=1S/C25H28N6O3/c1-34-19-7-3-6-18(12-19)21(32)15-30-16-28-22-20(13-26)24(29-10-8-27-9-11-29)31(23(22)25(30)33)14-17-4-2-5-17/h3,6-7,12,16-17,27H,2,4-5,8-11,14-15H2,1H3