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

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

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3/c1-17(2)7-10-31-23-22(20(14-26)24(31)29-11-8-27-9-12-29)28-16-30(25(23)33)15-21(32)18-5-4-6-19(13-18)34-3/h4-7,13,16,27H,8-12,15H2,1-3H3